Results for:
PubChem ID: 11487

N-phenylaniline

Mass-Spectra

Compound Details

Synonymous names
Anilinobenzene
Diphenylamine indicator
Styrenated diphenylamine
DIPHENYAMINE
Diphenylamine
N-PHENYLBENZENENAMINE
Phenylaniline
Difenylamin
Diphenylamine redox
N-Phenylbenzenamine
N-Phenylbenzeneamine
DMBHHRLKUKUOEG-UHFFFAOYSA-N
N-Phenylaniline
N-PhenylbenzenamineN-Phenyl AnilineDPAAnilinobenzene(phenylamino)benzeneN,N-diphenylaminebig dipperC.I. 10355PhenylbenzenamineDiphenylamine;
Scaldip
anilino-benzen
DIPHENYL AMINE
DIPHENYL-AMINE
N-Fenylanilin
N-Phenylbenzenamine, styrenated
phenyl aniline
Styrenated N-phenyl-benzenamine
(phenylamino)benzene
Big Dipper
DIPHENYLAMINE, ACS
N-Phenylaniline; N-Phenylbenzenamine
Poly(diphenylamine)
Shield DPA
AC1L1XGP
AC1Q2AQX
N,N-DIPHENYLAMINE
No scald
No-Scald
Styrene, reaction product with diphenylamine
9N3CBB0BIQ
benzenamine,n-phenyl-
SCHEMBL229
(phenylamino)-benzen
Difenylamin [Czech]
Diphenylamine, >=98%
Benzene, anilino-
Deccoscald 282
N-(phenyl)aniline
N,N-di-phenylamine
Naugalube 428L
UNII-9N3CBB0BIQ
WLN: RMR
ACMC-20aj4p
ARONIS24999
Benzenamine, N-phenyl-
CHEMBL38688
CTK0H5366
D0872
Diphenylamine, PESTANAL(R), analytical standard
N-Fenylanilin [Czech]
QSPL 033
S0706
V0082
Aniline, N-phenyl-
AS01428
BIDD:ER0338
Diphenylamine, p.a.
EBD25081
LS-665
NE10251
RL01013
Benzenamine, N-phenyl-, styrenated
C11016
CCRIS 4699
CHEBI:4640
HMS1788N11
HMS3034E05
HSDB 1108
ZINC967716
Benzene, (phenylamino)-
Diphenylamine, ACS reagent, >=99%
DTXSID4021975
NSC215210
OR034342
SBB058673
SCHEMBL3685153
SCHEMBL6255037
SCHEMBL7527678
STK301666
ZB015473
A804887
Diphenylamine, ACS 25g
DSSTox_CID_1975
AB1003196
AC-16417
AJ-24540
AK-49326
AN-43432
C6H5-NH-C6H5
CI 10355
DSSTox_GSID_21975
KB-50142
LABOTEST-BB LTBB000505
LS-28419
No-Scald DPA 283
SC-19016
SCHEMBL10932134
ATTERCOP-CHM AT130117
Caswell No. 398
Diphenylamine, reaction product with 2,2,4-trimethylpentene
DSSTox_RID_76436
MFCD00003014
ZINC00967716
AI3-00781
Diphenylamine, ReagentPlus(R), 99%
NSC 215210
NSC-215210
RTR-003590
ST45053747
TR-003590
AKOS000119099
EPA Pesticide Chemical Code 038501
Epitope ID:115002
J-004797
J-520383
Oprea1_815288
FT-0625252
FT-0632429
FT-0636419
MLS002152913
SMR000777939
I14-17974
LABOTEST-BB LT03328529
Tox21_201611
Tox21_301026
122-39-4
Diphenylamine, Vetec(TM) reagent grade, 98%
F2190-0411
C.I. 10355
MCULE-8347316415
NCGC00090889-01
NCGC00090889-02
NCGC00090889-03
NCGC00090889-04
NCGC00090889-05
NCGC00254928-01
NCGC00259160-01
CAS-122-39-4
EINECS 204-539-4
EINECS 270-485-3
68442-68-2
86352-05-8
MolPort-001-641-019
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
FormulaC6H5NHC6H5
PubChem ID11487
Molweight169.227
LogP3.41
Atoms24
Bonds25
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationAmines benzenoids

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaPseudomonas Fluorescens R76narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Frederiksbergensis S24naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Jessenii S34naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Syringae S22naphyllosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Veronii R02narhizosphere of field-grown potato plantsHunziker et al., 2015
BacteriaPseudomonas Vranovensis R01narhizosphere of field-grown potato plantsHunziker et al., 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaPseudomonas Fluorescens R76LB mediumGC/MSYes
BacteriaPseudomonas Frederiksbergensis S24LB mediumGC/MSYes
BacteriaPseudomonas Jessenii S34LB mediumGC/MSYes
BacteriaPseudomonas Syringae S22LB mediumGC/MSYes
BacteriaPseudomonas Veronii R02LB mediumGC/MSYes
BacteriaPseudomonas Vranovensis R01LB mediumGC/MSYes