Results for:
PubChem ID: 11937

Anthracen-2-amine

Mass-Spectra

Compound Details

Synonymous names
2-Aminoanthracene
anthracen-2-amine
613-13-8
2-Anthramine
2-Anthrylamine
2-ANTHRACENAMINE
2-Anthracylamine
beta-Aminoanthracene
.beta.-Aminoanthracene
DTXSID2024458
CHEBI:34260
MFCD00003582
8240818JGU
NSC-400535
2-Anthracenamide
DTXCID904458
CCRIS 22
CAS-613-13-8
HSDB 4041
EINECS 210-330-9
NSC 400535
BRN 2209414
AI3-52501
2-aminoanthracen
UNII-8240818JGU
Anthracene, 2-amino
2-Aminoanthracene, 96%
AMINOANTHRACENE, 2-
MLS002302986
BIDD:ER0574
BIDD:GT0166
CHEMBL83154
SCHEMBL103680
WLN: L C666J EZ
2-ANTHRACENAMINE [HSDB]
YCSBALJAGZKWFF-UHFFFAOYSA-
HMS3039P14
STR04539
Tox21_201567
Tox21_303299
NSC400535
AKOS004904683
MCULE-3149525306
NCGC00091622-01
NCGC00091622-02
NCGC00091622-03
NCGC00257001-01
NCGC00259116-01
SMR001307303
SY011614
DB-053837
NS00010865
2-Aminoanthracene 10 microg/mL in Cyclohexane
2-Aminoanthracene, technical, >=90% (HPLC)
T71122
A833154
Q26841182
InChI=1/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2
Microorganism:

Yes

IUPAC nameanthracen-2-amine
SMILESC1=CC=C2C=C3C=C(C=CC3=CC2=C1)N
InchiInChI=1S/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2
FormulaC14H11N
PubChem ID11937
Molweight193.24
LogP3.5
Atoms15
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationaromatic compounds amines nitrogen compounds benzenoids
CHEBI-ID34260
Supernatural-IDSN0446764

mVOC Specific Details

Boiling Point
DegreeReference
92.77777777777777 median, REST, convertet to C
Volatilization
The Henry's Law constant for 2-anthracenamine has been estimated to be 3.0X10-7 atm-cu m/mol at 25 deg C by combining a measured Henry's Law Constant for anthracene of 7.2X10-4 atm-cu m/mole at 25 deg C(1) with an estimation method based on structural bond contributions to intrinsic hydrophilic character(2,SRC). Given this value of Henry's Law constant and the relatively high Koc (15904 to 94276(4)) of 2-anthracenamine, it appears as though volatilization would not be a significant removal process from soil or water(3,SRC). This is apparent from the result of an EXAMS run for a model pond in which the effects of adsorption were considered. In this case, the volatilization half-life was determined to be 98 years(5,SRC).
Literature: (1) Mackay D et al; Environ Sci Tech 13: 333-7 (1982) (2) Hine J, Mookerjee PK J Org Chem 40: 292-8 (1975) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY: McGraw-Hill pp. 15-1 to 15-32 (1982) (4) Means JC et al; Environ Sci Tech 16: 93-8 (1982) (5) USEPA; EXAMS II computer simulation (1987)
Soil Adsorption
Koc ranging between 94276 and 15904 were measured for 2-anthracenamine in fourteen different soils and sediments(1). These Koc are indicative of extremely strong adsorption to soil and suspended solids and sediments in water(2,SRC).
Literature: (1) Means JC et al; Environ Sci Tech 16: 93-8 (1982) (2) Swann RL et al; Res Rev 85: 117-28 (1983)
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaShewanella Algaenasea sediment in east China coastGong et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaShewanella AlgaeNA mediumSPME-GC/MSno