Methyl ((2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl)carbamate

HCID 10945089

기본 정보

CAS
176972-62-6
표준 SMILES
COC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CCl
InChIKey
ZAZXPIZQYVPWAW-WDEREUQCSA-N
분자식
C12H16ClNO3
평균 분자량
257.71 g/mol

이름 및 식별자

우선 이름
Methyl ((2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl)carbamate
IUPAC
methyl N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamate

이름 및 동의어

Methyl ((2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl)carbamateEC 619-880-8Methyl [(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamateRefChem:811853619-880-8176972-62-6Carbamic acid, [(1S,2S)-3-chloro-2-hydroxy-1-(phenylmethyl)propyl]-, methyl ester (9CI)ZAZXPIZQYVPWAW-WDEREUQCSA-NSCHEMBL7462812methyl (1S,2S)-(1-benzyl-3-chloro-2-hydroxypropyl)-carbamate(2S,3S)-1-chloro-3-methoxycarbonylamino-4-phenyl-2-butanolmethyl(1S,2S)-(1-benzyl-3-chloro-2-hydroxy-propyl)-carbamate
이름 더 보기
methyl (1 S,2S)-(l -benzyl-3-chloro-2-hydroxy-propyl)-carbamatemethyl (1S,2S)-(1 -benzyl-3-chloro-2-hydroxy-propyl)-carbamatemethyl (1S,2S)-(1-benzyl-3-chloro 2-hydroxy-propyl)-carbamatemethyl (1S,2S)-(1-benzyl-3-chloro-2-hydroxy- propyl)-carbamatemethyl (1S,2S)-(1-benzyl-3-chloro-2-hydroxy-propyl)-carbamatemethyl N-[(2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl]carbamateMethyl((2S,3S)-4-chloro-3-hydroxy-1-phenylbutan-2-yl)carbamate

데이터베이스 식별자

CAS
176972-62-6
PubChem CID
10945089
EC Number
619-880-8

물성

구조 계산 물성

XLogP
1.9
극성 표면적
58.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
6
무거운 원자 수
17

안전 및 규제

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 29-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/6302

관련 반응

14건

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