(3R,4R)-(-)-1-벤질-3,4-피롤리딘디올

rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol

HCID 536645CAS 76784-33-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OC1CN(Cc2ccccc2)CC1O
InChIKey: QJRIUWQPJVPYSO-UHFFFAOYSA-N
분자식: C11H15NO2
평균 분자량: 193.24 g/mol

이름 및 식별자

우선 이름: rac-(3R,4S)-1-benzylpyrrolidine-3,4-diol
IUPAC: 1-benzylpyrrolidine-3,4-diol
현지명: (3R,4R)-(-)-1-벤질-3,4-피롤리딘디올
영어명: (3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol
분자식: C11H15NO2
분자량: 193.24

이름 및 동의어

rac-(3R,4S)-1-Benzylpyrrolidine-3,4-diolRefChem:873985986-372-376784-33-31-benzylpyrrolidine-3,4-diol260389-82-01-benzylpyrrolidine-3,4-diol, cis1346224-27-81-Benzyl-pyrrolidin-3,4-dioltrans-1-benzylpyrrolidine-3,4-diol(-)-(3R,4R)-1-(Phenylmethyl)-3,4-pyrrolidinediolSCHEMBL562632

이름 더 보기

(3R,4R)-(-)-1-벤질-3,4-피롤리딘디올cis-1-Benzylpyrrolidine-3,4-diol(3S,4R)-1-benzylpyrrolidine-3,4-diol(3R,4S)-1-benzylpyrrolidine-3,4-diol(3R,4R)-1-BENZYL-PYRROLIDINE-3,4-DIOL(3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiolrel-(3R,4S)-1-Benzylpyrrolidine-3,4-diolrac-(3R, 4S)-1-benzylpyrrolidine-3,4-diol3,4-Pyrrolidinediol, 1-(phenylmethyl)-, (3R,4S)-rel-

1-Benzyl-3,4-pyrrolidinediol #1-benzyl-3,4-dihydroxypyrrolidine3,4-dihydroxy-N-benzylpyrrolidineBDA784331-Benzyl-3,4-dihydroxy pyrrolidineAKOS006291782AB08024AB85824

데이터베이스 식별자

CAS: 76784-33-3
PubChem CID: 536645
EC Number: 986-372-3

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 43.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 170

물리화학적 성질

녹는점: 94 · 94-100 °C
끓는 점: 356.2 · 356.2±12.0 °C(Predicted)
밀도: 1.27 · 1.270±0.06 g/cm3(Predicted)
산도 계수 (pKa): 13.99 · 13.99±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.