Results for:
PubChem ID: 1001

2-phenylethanamine

Mass-Spectra

Compound Details

Synonymous names
Benzeneethanamine
phenylethylamine
Phenethylamine
phenethylarnine
beta-Aminoethylbenzene
beta-Phenylaethylamin
beta-phenylethylamine
Dextroamphetamine sulfate salt
omega-Phenylethylamine
phenethylamin
b-aminoethylbenzene
beta Phenethylamine
beta-Phenethylamine
PHENETHYLAMINE, HYDROCHLORIDE
b-phenylaethylamin
b-phenylethylamine
benzylmethyl amine
BHHGXPLMPWCGHP-UHFFFAOYSA-N
Phenylethyl amine
.beta.-Phenylathylaminhydrochlorid
b-phenethylamine
N-phenethylamine
phenethyl amine
phenethyl-amine
2-Aminoethylbenzene
2-Phenylethanamine
2-phenylethaneamine
2-phenylethylamine
3-AMINOETHYLBENZENE
PHEA
2-Fenylethylamin
2-Phenethylamine
DL-BENZEDRINE SULFATE
N-Benzylmethyl-amine
PHENETHYLAMINE, BETA
.beta.-Phenylethylamine hydrochloride
14C-phenylethylamine
.beta.-Phenethylamine hydrochloride
1tnj
1utm
1uto
AC1L1AIE
D-Amphetamine sulfate salt
.beta.-Aminoethylbenzene
.beta.-Phenylaethylamin
.beta.-Phenylethylamine
.omega.-Phenylethylamine
2-Phenethylamine, analytical standard
2-phenyl ethylamine
2-phenyl-Ethanamine
2-phenyl-ethylamine
2-Phenylethanamine #
2-Phenylethyl amine
.beta.-Phenethylamine
2-Amino-fenylethan
beta-phenylaethylamin (german)
beta-Phenylaethylamin [German]
CHEMBL610
Polystyrene A-NH2
SCHEMBL968
(2-Aminoethyl)polystyrene
2-Phenethylamine, liquid
AC1Q54BB
Phenethylamine, >=99%
ACMC-1ATT1
b-phenylaethylamin (german)
C8H11N
Phenethylamine, 99%
(2-Aminoethyl)benzene
(2-phenylethyl)amine
2-(aminoethyl)benzene
2-(phenyl)ethylamine
AC1Q54D9
GTPL2144
KSC353A6F
Phenethylamine, .beta.
PubChem21080
(+)-alpha-Methylphenethylamine hemisulfate salt
1-Amino-2-phenylethane
1-Phenyl-2-aminoethane
2-Amino-1-phenylethane
2-Phenylethan-1-Amine
327C7L2BXQ
BDBM10758
CTK2F3062
HMDB12275
P0085
WLN: Z2R
2-Fenylethylamin [Czech]
ACT01135
AS00484
EBD27214
LS10634
NSC10811
RL04441
RP19436
SCHEMBL330324
(+)-A-METHYLPHENETHYLAMINE HEMISULFATE SALT
(+)-alpha-Methylphenethylamine sulfate salt
bmse000377
C05332
Ethanamine, 2-phenyl-
Ethylamine, 2-phenyl-
FEMA 3220
HMS2267J14
HSDB 3526
UNII-327C7L2BXQ
DNC012267
DTXSID5058773
LS-3025
OR033956
OR176651
OR195879
OR253104
SBB058801
STL264196
1-Phenyl-2-amino-athan
2-Amino-fenylethan [Czech]
AURORA KA-7805
CHEBI:18397
ZINC6579654
AJ-61320
AK-44044
AN-23735
ANW-34793
BR-44044
KB-47544
LABOTEST-BB LTBB000487
NSC 10811
NSC-10811
PARAGOS 510015
SC-18356
MFCD00008184
Phenethylamine, purified by redistillation, >=99.5%
RARECHEM AL BW 0047
AI3-03117
DB-002852
RTR-000856
ST24032521
ST45255355
TR-000856
TX-016680
AKOS000119084
I01-0392
Q-201553
BRN 0507488
FEMA No. 3220
MLS001066395
MLS001075768
SMR000471837
(+/-)-ALPHA-METHYLPHENETHYLAMINE SULFATE SALT
64-04-0
LABOTEST-BB LT03331710
AZ0001-0092
OTAVA-BB 1038619
Phenethyl-1,2-13C2-amine
F2190-0396
1-Phenyl-2-amino-athan (GERMAN)
1-Phenyl-2-amino-athan [German]
MCULE-5305816256
NCGC00163366-01
2-phenylethanamine (ACD/Name 4.0)
2-phenylethylamine (ACD/Name 4.0)
EINECS 200-574-4
843-EP2272972A1
843-EP2272973A1
843-EP2277872A1
843-EP2281818A1
843-EP2284157A1
843-EP2284174A1
843-EP2292619A1
843-EP2295439A1
843-EP2305260A1
843-EP2308510A1
843-EP2308562A2
843-EP2371811A2
156-28-5 (hydrochloride)
MolPort-000-871-498
12463-EP2280001A1
12463-EP2314571A2
12463-EP2316826A1
21691-EP2284174A1
21691-EP2314571A2
79541-EP2305695A2
79541-EP2305696A2
79541-EP2305697A2
79541-EP2305698A2
71750-39-5 (sulfate)
Polystyrene A-NH2, extent of labeling: 0.8-1.2 mmol/g loading
5471-08-9 (sulfate[2:1])
60BC7032-7CEC-4B97-B365-EA6E475E6E3C
InChI=1/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H
Microorganism:

Yes

IUPAC name2-phenylethanamine
SMILESC1=CC=C(C=C1)CCN
InchiInChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
FormulaC8H11N
PubChem ID1001
Molweight121.183
LogP1.39
Atoms20
Bonds20
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationBenzenoids Amines nitrogen compounds

mVOC Specific Details

Boiling Point
DegreeReference
197.5 °CPhysProp
194.5-195 deg CO'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1296
Volatilization
The Henry's Law constant for 2-phenylethylamine is estimated as 8.1X10-7 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2-phenylethylamine expected to volatilize slowly from water surfaces(2). Based on this estimated 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)(2) is estimated as 50 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)(2) is estimated as 365 days(SRC).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Solubility
Sol in water; freely sol in alc, ether
Literature: O'Neil, M.J. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. 13th Edition, Whitehouse Station, NJ: Merck and Co., Inc., 2001., p. 1296
Soil Adsorption
The soil/water distribution coefficient (Kd) for 2-phenylethylamine was experimentally determined to be 2.1 in a silty-clay loam soil with an organic carbon content of 1.7%(1), which corresponds to a Koc value of 120(SRC). According to a classification scheme(2), this Koc value suggests that 2-phenylethylamine is expected to have high mobility in soil. The pKa of 2-phenylethylamine is 9.83(3), indicating that this compound will primarily exist in cation form in the environment and cations generally adsorb to organic carbon and clay more strongly than their neutral counterparts(4); however, aliphatic cations are more weakly sorbed than those associated with aromatic ring systems(1).
Literature: (1) Nicholls PH; Organic Contaminants in the Environment. Jones KC, ed. Essex, England: Elsevier Sci Publ Ltd, Chpt 3, p. 95 (1991) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Lide DR, ed; CRC Handbook of Chemistry and Physics, 81st Ed. Boca Raton, FL: CRC Press LLC, p. 8-52 (2000) (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals; Boethling RS, Mackay D, eds, Boca Raton, FL: Lewis Publ (2000)
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaArthrobacter Globiformisn/aSchulz and Dickschat, 2007
BacteriaStaphylococcus Schleiferi DSMZ 4807clinical isolateLemfack et al. 2016
BacteriaStaphylococcus Schleiferi V431clinical isolateLemfack et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaArthrobacter Globiformisn/an/a
BacteriaStaphylococcus Schleiferi DSMZ 4807brain heart infusion mediumPorapak / GC/MSno
BacteriaStaphylococcus Schleiferi V431brain heart infusion mediumPorapak / GC/MSno