Results for:
chemical Classification: nitroso compounds

N,2-dimethyl-N-nitrosopropanamide

Compound Details

Synonymous names
N-methyl-N-nitrosoisobutyramide
1255641-06-5
SCHEMBL103668
Microorganism:

No

IUPAC nameN,2-dimethyl-N-nitrosopropanamide
SMILESCC(C)C(=O)N(C)N=O
InchiInChI=1S/C5H10N2O2/c1-4(2)5(8)7(3)6-9/h4H,1-3H3
FormulaC5H10N2O2
PubChem ID49765109
Molweight130.15
LogP0.5
Atoms9
Bonds1
H-bond Acceptor3
H-bond Donor0
Chemical Classificationamides nitroso compounds nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaMuscodor Albusantimicrobial activity by DNA methylationrainforests Peru and EcuadorHutchings et al. 2017
EukaryotaMuscodor Crispansantimicrobial activity by DNA methylationrainforests Peru and EcuadorHutchings et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaMuscodor AlbusPDASPME-GC-MSyes
EukaryotaMuscodor CrispansPDASPME-GC-MSyes


Ethyl N-methyl-N-nitrosocarbamate

Compound Details

Synonymous names
615-53-2
N-NITROSO-N-METHYLURETHANE
N-Methyl-N-nitrosourethane
Methylnitrosourethane
Nitrosomethylurethane
Ethyl N-Methyl-N-nitrosocarbamate
MNUN
NMUT
Carbamic acid, methylnitroso-, ethyl ester
Methyl-N-nitrosourethane
Methylnitrosourethan
N-Nitro-N-methylurethan
Ethyl N-methylnitrosocarbamate
N-Methyl-N-nitrosoethylcarbamate
Nitrosomethylurethan
Ethyl methylnitrosocarbamate
RCRA waste number U178
N-Methyl-N-nitroso-urethane
NSC 2860
ethyl methyl(nitroso)carbamate
Ethyl ester of methylnitroso-carbamic acid
N-Methyl-N-nitrosocarbamic acid, ethyl ester
Carbamic acid, N-methyl-N-nitroso-, ethyl ester
DTXSID4021472
CHEBI:82373
Ethylester kyseliny N-methyl-N-nitrosokarbaminove
ethyl N-methyl-N-nitroso-carbamate
NSC-2860
741GDM4803
Nm-urethane
N-methyl-N-nitrosocarbamic acid ethyl ester
NM-Urethan
N-Nitrosomethylurethane
Methylnitrosourethan [German]
Nitrosomethylurethan [German]
CCRIS 471
HSDB 5113
EINECS 210-432-3
RCRA waste no. U178
BRN 1763954
AI3-19393
UNII-741GDM4803
Methylnitrosocarbamic Acid Ethyl Ester; Ethyl N-Methylnitrosocarbamate; Methylnitrosourethane; Nitrosomethylurethane; NMU; NSC 2860
Ethylester kyseliny N-methyl-N-nitrosokarbaminove [Czech]
n-nitroso-n-methylurethan
WLN: ONN1&VO2
SCHEMBL102165
DTXCID801472
CHEMBL3188414
NSC2860
AMY41354
N-Ethoxycarbonyl-N-methylnitrosamine
Tox21_302872
AKOS015850671
Methylnitrosocarbamic acid, ethyl ester
Carbamic acid, methylnitroso-allyl ester
NCGC00256477-01
CAS-615-53-2
LS-12997
N-METHYL-N-NITROSOURETHANE [IARC]
N-NITROSO-N-METHYLURETHANE [HSDB]
DB-053929
Ethyl 1-methyl-2-oxohydrazinecarboxylate #
N0265
NS00022504
C19301
F16700
A833295
Q26840976
Microorganism:

Yes

IUPAC nameethyl N-methyl-N-nitrosocarbamate
SMILESCCOC(=O)N(C)N=O
InchiInChI=1S/C4H8N2O3/c1-3-9-4(7)6(2)5-8/h3H2,1-2H3
FormulaC4H8N2O3
PubChem ID12001
Molweight132.12
LogP0.2
Atoms9
Bonds2
H-bond Acceptor4
H-bond Donor0
Chemical Classificationnitroso compounds nitrogen compounds esters
CHEBI-ID82373

mVOC Specific Details

Boiling Point
DegreeReference
62 °C peer reviewed
Volatilization
The Henry's Law constant for N-nitroso-N-methylurethane is estimated as 5.5X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 1.18 mm Hg(1), and water solubility, 37,000 mg/L(2). This Henry's Law constant indicates that N-nitroso-N-methylurethane is expected to volatilize from water surfaces(3). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(3) is estimated as 8 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(3) is estimated as 60 days(SRC). N-Nitroso-N-methylurethane's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of N-nitroso-N-methylurethane from dry soil surfaces may exist(SRC) based upon its vapor pressure(1).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of N-nitroso-N-methylurethane can be estimated to be 40(SRC). According to a classification scheme(2), this estimated Koc value suggests that N-nitroso-N-methylurethane is expected to have very high mobility in soil.
Vapor Pressure
PressureReference
1.18

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Meyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno


4-nitrosomorpholine

Compound Details

Synonymous names
N-NITROSOMORPHOLINE
59-89-2
4-Nitrosomorpholine
Nitrosomorpholine
Morpholine, 4-nitroso-
NMOR
N-Nitrosomorpholin
Morpholine, N-nitroso-
N-Nitrosomorfolin
NCI-C02164
4-Nitroso-morpholine
3L25FO7FN7
DTXSID4021056
CHEBI:76326
NSC-139
DTXCID001056
NSC 139
N-Nitrosomorfolin [Czech]
CAS-59-89-2
N-Nitrosomorpholin [German]
67587-56-8
CCRIS 473
Molsidomine impurity B
HSDB 4308
BRN 0112139
UNII-3L25FO7FN7
N-nitroso morpholine
N-Nitrosomorpholine solution
WLN: T6N DOTJ ANO
N-Nitrosomorpholine (NMOR)
CHEMBL165908
NSC139
SCHEMBL1578515
N-NITROSOMORPHOLINE [MI]
N-NITROSOMORPHOLINE [HSDB]
N-NITROSOMORPHOLINE [IARC]
Tox21_202132
Tox21_302867
MFCD00039710
STL301087
AKOS015903272
NCGC00249174-01
NCGC00256343-01
NCGC00259681-01
BS-17191
SY052130
4-Nitrosomorpholine 0.1 mg/ml in Methanol
4-Nitrosomorpholine 1.0 mg/ml in Methanol
DB-053489
HY-131123
CS-0128913
N0466
NS00010254
C19283
N-Nitrosomorpholine 100 microg/mL in Methanol
T72681
EN300-7323775
Q22138414
Z1255360497
Molsidomine impurity B, European Pharmacopoeia (EP) Reference Standard
Microorganism:

Yes

IUPAC name4-nitrosomorpholine
SMILESC1COCCN1N=O
InchiInChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2
FormulaC4H8N2O2
PubChem ID6046
Molweight116.12
LogP-0.4
Atoms8
Bonds0
H-bond Acceptor4
H-bond Donor0
Chemical Classificationnitroso compounds nitrogen compounds morpholines heterocyclic compounds ethers
CHEBI-ID76326
Supernatural-IDSN0473195

mVOC Specific Details

Boiling Point
DegreeReference
224 °C peer reviewed
Volatilization
The Henry's Law constant for N-nitrosomorpholine is 2.45X10-8 atm-cu-m/mol at 37 °C(1). This value indicates that N-nitrosomorpholine will be essentially nonvolatile from water surfaces(2). Although N-nitrosomorpholine's estimated vapor pressure of 0.036 mm Hg at 20 °C(3) and measured Henry's Law constant suggest that volatilization from dry and moist soil is not expected to occur(SRC), inhalation toxicity studies found that N-nitrosomorpholine was volatile at room temperatures with inhalation exposure possible(4).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of N-nitrosomorpholine can be estimated to be 22(SRC). The Koc of N-nitrosomorpholine can be estimated as 4(SRC), using a log Kow of -0.44(2) and a regression-derived equation(1). According to a classification scheme(3), these estimated Koc values suggest that N-nitrosodiethylamine is expected to have very high mobility in soil.
Vapor Pressure
PressureReference
25
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Lactobacillus PlantarumZhang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Lactobacillus PlantarumHabanero pepperGC–IMSno


7-nitroso-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

Compound Details

Synonymous names
SCHEMBL14573741
MHPUSHOOMBFVSD-UHFFFAOYSA-N
NCGC00188212-01
1H,5H-benzo[ij]quinolizine, 2,3,6,7-tetrahydro-9-nitroso-
9-nitroso-2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinoline
Microorganism:

Yes

IUPAC name7-nitroso-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESC1CC2=CC(=CC3=C2N(C1)CCC3)N=O
InchiInChI=1S/C12H14N2O/c15-13-11-7-9-3-1-5-14-6-2-4-10(8-11)12(9)14/h7-8H,1-6H2
FormulaC12H14N2O
PubChem ID53315767
Molweight202.25
LogP2.2
Atoms15
Bonds0
H-bond Acceptor3
H-bond Donor0
Chemical Classificationaromatic compounds nitrogen compounds nitroso compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Pectobacterium CarotovorumKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Pectobacterium Carotovoruminoculated potato samplesGC-MSno