2-페닐프로필아민

2-Phenylpropylamine

HCID 11398CAS 582-22-9

기본 정보

표준 SMILES: CC(CN)c1ccccc1
InChIKey: AXORVIZLPOGIRG-UHFFFAOYSA-N
분자식: C9H13N
평균 분자량: 135.21 g/mol
단동위원소 질량: 135.10479942

개요

2-phenylpropylamine is a phenylalkylamine that is propan-1-amine substituted by a phenyl group at position 2. It is classified as a doping agent by the World Anti-Doping Agency. It has a role as an antihypotensive agent. It is a member of benzenes and a phenylalkylamine.

이름 및 식별자

우선 이름: 2-Phenylpropylamine
IUPAC: 2-phenylpropan-1-amine
현지명: 2-페닐프로필아민
영어명: 2-PHENYLPROPYLAMINE
분자식: C9H13N
분자량: 135.21

이름 및 동의어

2-Phenylpropylamine582-22-9beta-Methylphenethylamine2-phenyl-1-propanamine2-phenyl-1-propylamine2-PHENYLPROPANAMINEBenzeneethanamine, .beta.-methyl-.beta.-Methylphenethylamine6XL7O3V13LBenzeneethanamine, beta-methyl-NSC-272273DTXSID10870630

이름 더 보기

2-페닐프로필아민β-MethylphenethylamineNSC 272273AKOS 236-27ASISCHEM D19374AKOS BBS-00006774RARECHEM AL BW 0191

RefChem:478223DTXCID50818334(+-)-BETA-METHYLPHENETHYLAMINE(+-)-.BETA.-METHYLPHENETHYLAMINE209-479-22-phenylpropan-1-amine1-Amino-2-phenylpropaneBMPEA

데이터베이스 식별자

CAS: 582-22-9
PubChem CID: 11398
DTXSID: DTXSID10870630
ChEMBL: CHEMBL158578
ChEBI: CHEBI:229522
UNII: 6XL7O3V13L
EC Number: 209-479-2
Nikkaji: J53.744F

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 84.7

실험 및 물리화학적 성질

DrugsDEA NFLIS-Drug Category -> Phenethylamines (Amphetamines) (S)

물리화학적 성질

녹는점: 116 °C · 116°C (estimate)
끓는 점: 80 °C10 · 80 °C10 mm Hg(lit.)
밀도: 0.93 g/mL · 0.93 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.524(lit.)
인화점: 175 °F · 175 °F
산도 계수 (pKa): 9.92 · 9.92±0.10(Predicted)
InChI: 1S/C9H13N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
InChIKey: AXORVIZLPOGIRG-UHFFFAOYSA-N
SMILES: CC(CN)c1ccccc1

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.