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
- 형식 전하
- 0
- 복잡도
- 232
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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