베타-메틸-페네틸아민염산염

2-Phenylpropylamine hydrochloride

HCID 89332CAS 20388-87-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(CN)c1ccccc1.Cl
InChIKey: HBVYOCJBEXSCQE-UHFFFAOYSA-N
분자식: C9H14ClN
평균 분자량: 171.67 g/mol
단동위원소 질량: 171.08147713

이름 및 식별자

우선 이름: 2-Phenylpropylamine hydrochloride
IUPAC: 2-phenylpropan-1-amine;hydrochloride
현지명: 베타-메틸-페네틸아민염산염
영어명: 2-Phenylpropan-1-amine hydrochloride
분자식: C9H14ClN
분자량: 171.66716

이름 및 동의어

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

이름 더 보기

베타-메틸-페네틸아민염산염N-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

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적: 26 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 84.7

물리화학적 성질

녹는점: 143 · 143-144℃
물리적 상태: 가루
색상: 크림색에서 연한 노란색까지
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

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

응용 분야 · 3건

개요BMPEA 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.

용도2-phenyl-1-propylamine hydrochloride is an amine organic compound, which can be used as pharmaceutical intermediates.

일반 설명b-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