2-Phenylpropylamine hydrochloride

HCID 89332

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Basic information

CAS: 20388-87-8
Standard SMILES: CC(CN)c1ccccc1.Cl
InChIKey: HBVYOCJBEXSCQE-UHFFFAOYSA-N
Molecular formula: C9H14ClN
Average molar mass: 171.67 g/mol
Monoisotopic mass: 171.08147713

Names & identifiers

Preferred name: 2-Phenylpropylamine hydrochloride
IUPAC: 2-phenylpropan-1-amine;hydrochloride
English name: 2-Phenylpropan-1-amine hydrochloride
Molecular formula: C9H14ClN
Molecular weight: 171.66716

Names & synonyms

2-phenylpropan-1-amine hydrochloride20388-87-82-Phenylpropylamine hydrochloridebeta-Methylphenethylamine hydrochlorideUE6X81QXLSPhenethylamine, beta-methyl-, hydrochloride2-PHENYL-1-PROPANAMINE MONOHYDROCHLORIDE.BETA.-METHYLBENZENEETHANAMINE HYDROCHLORIDEBENZENEETHANAMINE, .BETA.-METHYL-, HYDROCHLORIDE (1:1)RefChem:478224Benzeneethanamine, beta-methyl-, hydrochloride (1:1)BETA-METHYLBENZENEETHANAMINE HYDROCHLORIDE

Show more names

N-Ethyl-βN-Ethyl-d5-βBMPEA (hydrochloride)2-phenylpropylammonium chlorideBeta-MethylphenylethylaMine HClMETHYLPHENYLETHYLAMINE HCL, BETA-2-Phenyl-1-propanamine hydrochlorideβ-Methylphenethylamine hydrochloride

2-PHENYLPROPYLAMINE HYDROCHLORIDE, (+-)-872-275-252991-03-42-phenylpropan-1-amine;hydrochloridePhenethylamine, beta-methyl-, hydrochloride, (+-)-(R)-2-Phenyl-propyl-1-amine hydrochlorideb-Methylphenethylamine Hydrochloride2-phenyl-1-propylamine HCl

Database identifiers

CAS: 20388-87-8、52991-03-4
PubChem CID: 89332
DTXSID: DTXSID00942557
UNII: UE6X81QXLS
EC Number: 872-275-2

Properties

Computed structural properties

Topological polar surface area: 26 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 84.7

Physicochemical properties

Melting point: 143 · 143-144℃
form: Powder
color: Cream to pale yellow
Sensitive: Hygroscopic
InChI: InChI=1S/C9H13N.ClH/c1-8(7-10)9-5-3-2-4-6-9;/h2-6,8H,7,10H2,1H3;1H
InChIKey: HBVYOCJBEXSCQE-UHFFFAOYSA-N
SMILES: NCC(C)C1=CC=CC=C1.[H]Cl
CAS DataBase Reference: 20388 · 20388-87-8
EWG's Food Scores: 1 · 1
FDA UNII: 6 X81QXLS · UE6X81QXLS
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 3 items

DescriptionBMPEA is a phenethylamine compound and positional isomer of amphetamine that has been found in nutritional supplements and classified as a novel doping substance. It acts as an agonist of the human trace amine-associated receptor 1 (EC50s = 325 and 104 nM for R(+) and S(-) isomers, respectively). This product is intended for forensic and research purposes.

Uses2-phenyl-1-propylamine hydrochloride is an amine organic compound, which can be used as pharmaceutical intermediates.

General Descriptionb-Methylphenethylamine is the hydrochloride salt of b-Methylphenethylamine. b-Methylphenethylamine is a positional isomer of Amphetamine (HCl: A634240), and as a result, has been classified as a doping agent by the World-Anti Doping Agency. Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package