벤젠메탄올,-알파-(1-아미노에틸)-

(1S,2R)-(+)-Norephedrine

HCID 4786CAS 37577-28-9

기본 정보

표준 SMILES: CC(N)C(O)c1ccccc1
InChIKey: DLNKOYKMWOXYQA-UHFFFAOYSA-N
분자식: C9H13NO
평균 분자량: 151.21 g/mol
단동위원소 질량: 151.09971404

개요

See also: Phenylpropanolamine (annotation moved to); (-)-Norpseudoephedrine (annotation moved to); Norpseudoephedrine (annotation moved to).

이름 및 식별자

우선 이름: (1S,2R)-(+)-Norephedrine
IUPAC: 2-amino-1-phenylpropan-1-ol
현지명: 벤젠메탄올,-알파-(1-아미노에틸)-
영어명: Benzenemethanol, -alpha--(1-aminoethyl)-
분자식: C9H13NO
분자량: 151.21

이름 및 동의어

2-Amino-1-phenyl-1-propanol(1S,2R)-(+)-NorephedrineDTXSID70859305RefChem:393928DTXCID00196755628-077-148115-38-4alpha-(1-aminoethyl)benzyl alcoholNSC-120735UNII-683H0R96592-Amino-2-methyl-1-phenylethanol2-Amino-1-hydroxy-1-phenylpropane

이름 더 보기

벤젠메탄올,-알파-(1-아미노에틸)-α-(1-Aminoethyl)benzenemethanolBenzenemethanol, α-(1-aminoethyl)-Benzenemethanol, -alpha--(1-aminoethyl)-

beta-Hydroxy-alpha-methylphenethylamineBenzenemethanol, alpha-(1-aminoethyl)-Benzenemethanol, .alpha.-(1-aminoethyl)-683H0R9659(-)-Pseudo NorephedrineNorpseudoephedrine, (+)-CHEMBL1365602-Amino-1-phenyl-1-propanol #

데이터베이스 식별자

CAS: 37577-28-9、48115-38-4
PubChem CID: 4786
DTXSID: DTXSID70859305
EC Number: 628-077-1
Nikkaji: J136.573H

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 110

실험 및 물리화학적 성질

Drugs · 2건

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

Pharmaceuticals

물리화학적 성질

녹는점: 103 °C · 103 °C
끓는 점: 122 °C · 122 °C(Press: 4-5 Torr)
밀도: 1.071 · 1.071±0.06 g/cm3(Predicted)
산도 계수 (pKa): 12.07 · 12.07±0.45(Predicted)

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)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.