Results for:
PubChem ID: 11487

N-phenylaniline

Mass-Spectra

Compound Details

Synonymous names
Diphenylamine
N-Phenylaniline
122-39-4
N,N-DIPHENYLAMINE
N-Phenylbenzenamine
Anilinobenzene
N-Phenylbenzeneamine
Phenylaniline
Scaldip
Big Dipper
Benzenamine, N-phenyl-
Styrenated diphenylamine
No-Scald
Benzene, anilino-
Difenylamin
Deccoscald 282
Naugalube 428L
N-Fenylanilin
Aniline, N-phenyl-
Shield DPA
No-Scald DPA 283
Benzene, (phenylamino)-
(phenylamino)benzene
Caswell No. 398
DIPHENYL-AMINE
No scald
Benzenamine, N-phenyl-, styrenated
DIPHENYL AMINE
C.I. 10355
C6H5-NH-C6H5
CCRIS 4699
CHEBI:4640
N-Phenylbenzenamine, styrenated
NSC 215210
HSDB 1108
UNII-9N3CBB0BIQ
9N3CBB0BIQ
DFA
EINECS 204-539-4
EPA Pesticide Chemical Code 038501
CI 10355
DTXSID4021975
AI3-00781
MFCD00003014
NSC-215210
DIPHENYL-D10-AMINE
DTXCID001975
EC 204-539-4
Difenylamin [Czech]
N-Fenylanilin [Czech]
25656-57-9
CAS-122-39-4
Diphenylamine indicator
DIPHENYLAMINE, ACS
phenyl aniline
Anilino-Benzene
n-phenyl-aniline
N-phenylbenzamine
N-(phenyl)aniline
n,n-diphenyl amine
EINECS 270-485-3
N,N-di-phenylamine
n-phenyl-benzenamine
Diphenylamine, p.a.
(phenylamino)-Benzene
No scald dpa 283
Ph2NH
Diphenylamine, >=98%
WLN: RMR
Diphenylamine, ACS grade
N-Phenylbenzenamine, 9CI
SCHEMBL229
DIPHENYLAMINE [MI]
Epitope ID:115002
Oprea1_815288
MLS002152913
BIDD:ER0338
CHEMBL38688
QSPL 033
SCHEMBL3685153
SCHEMBL6255037
SCHEMBL7527678
SCHEMBL10932134
2-Biphenylyl-N-pyridyl-Acetamide
N,N-DIPHENYLAMINE [HSDB]
HMS1788N11
HMS3034E05
Tox21_201611
Tox21_301026
NSC215210
STK301666
Diphenylamine, ACS reagent, >=99%
Diphenylamine, ReagentPlus(R), 99%
AKOS000119099
MCULE-8347316415
NC-0220
USEPA/OPP Pesticide Code: 038501
NCGC00090889-01
NCGC00090889-02
NCGC00090889-03
NCGC00090889-04
NCGC00090889-05
NCGC00254928-01
NCGC00259160-01
AC-16417
SMR000777939
Diphenylamine 10 microg/mL in Cyclohexane
D0872
D1229
Diphenylamine 100 microg/mL in Acetonitrile
NS00010366
Diphenylamine, Vetec(TM) reagent grade, 98%
EN300-18732
Diphenylamine 1000 microg/mL in Dichloromethane
Diphenylamine, PESTANAL(R), analytical standard
A804887
Q412265
J-004797
J-520383
Z90121252
F2190-0411
Diphenylamine, puriss. p.a., redox indicator, ACS reagent, reag. Ph. Eur., >=98% (GC)
InChI=1/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13
Microorganism:

Yes

IUPAC nameN-phenylaniline
SMILESC1=CC=C(C=C1)NC2=CC=CC=C2
InchiInChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
FormulaC12H11N
PubChem ID11487
Molweight169.22
LogP3.5
Atoms13
Bonds2
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic compounds amines benzenoids nitrogen compounds
CHEBI-ID4640
Supernatural-IDSN0069369

mVOC Specific Details

Boiling Point
DegreeReference
302 °C peer reviewed
Volatilization
The Henry's Law constant for N,N-diphenylamine is estimated as 2.7X10-6 atm-cu m/mole(SRC) derived from its vapor pressure, 6.7X10-4 mm Hg(1), and water solubility, 53 mg/l(2). This Henry's Law constant indicates that diphenylamine 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 9.4 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 107 days(SRC). N,N-Diphenylamine is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Jones AH; J Chem Eng Data 5: 196-200 (1960) (2) Yalkowsky SH, He Y, eds; Handbook of aqueous solubility data. Boca Raton, FL: CRC Press, p. 835 (2003) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of N,N-diphenylamine is estimated as 1,900(SRC), using a log Kow of 3.50(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that N,N-diphenylamine is expected to have low mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 98 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
6.70X10-4 mm Hg @ 25 deg CJones AH; J Chem Eng Data 5: 196-200 (1960)
MS-Links
1D-NMR-Links
Massbank-Links
Massbank Spectrum MSBNK-CASMI_2016-SM808601
Massbank Spectrum MSBNK-Eawag-EQ309201
Massbank Spectrum MSBNK-Eawag-EQ309202
Massbank Spectrum MSBNK-Eawag-EQ309203
Massbank Spectrum MSBNK-Eawag-EQ309204
Massbank Spectrum MSBNK-Eawag-EQ309205
Massbank Spectrum MSBNK-Eawag-EQ309206
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP005698
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP009713
Massbank Spectrum MSBNK-Fac_Eng_Univ_Tokyo-JP010329
Massbank Spectrum MSBNK-Keio_Univ-KO002682
Massbank Spectrum MSBNK-Keio_Univ-KO002683
Massbank Spectrum MSBNK-Keio_Univ-KO002684
Massbank Spectrum MSBNK-Keio_Univ-KO002685
Massbank Spectrum MSBNK-Keio_Univ-KO002686
Massbank Spectrum MSBNK-LCSB-LU030001
Massbank Spectrum MSBNK-LCSB-LU030002
Massbank Spectrum MSBNK-LCSB-LU030003
Massbank Spectrum MSBNK-LCSB-LU030004
Massbank Spectrum MSBNK-LCSB-LU030005
Massbank Spectrum MSBNK-LCSB-LU030006

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Subtilisantifungal activity against Alternaria solaniisolate from rhizosphere of potato in Shandong and Hebei Province in ChinaZhang et al. 2020
ProkaryotaPseudomonas Vranovensisnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Veroniinarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Fluorescensnarhizosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Syringaenaphyllosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Frederiksbergensisnaphyllosphere of field-grown potato plantsHunziker et al. 2015
ProkaryotaPseudomonas Jesseniinaphyllosphere of field-grown potato plantsHunziker et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSyes
ProkaryotaPseudomonas VranovensisLB mediumGC/MSyes
ProkaryotaPseudomonas VeroniiLB mediumGC/MSyes
ProkaryotaPseudomonas FluorescensLB mediumGC/MSyes
ProkaryotaPseudomonas SyringaeLB mediumGC/MSyes
ProkaryotaPseudomonas FrederiksbergensisLB mediumGC/MSyes
ProkaryotaPseudomonas JesseniiLB mediumGC/MSyes