(S)-4-하이드록시메틸-2,2-디메틸-옥사졸리딘-3-카르복실산tert-부틸에스테르

(S)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester

HCID 11053463

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 108149-65-1
표준 SMILES: CC(C)(C)OC(=O)N1[C@@H](CO)COC1(C)C
InChIKey: DWFOEHLGMZJBAA-QMMMGPOBSA-N
분자식: C11H21NO4
평균 분자량: 231.29 g/mol
단동위원소 질량: 231.14705815

이름 및 식별자

우선 이름: (S)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
IUPAC: tert-butyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
현지명: (S)-4-하이드록시메틸-2,2-디메틸-옥사졸리딘-3-카르복실산tert-부틸에스테르
영어명: (S)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
분자식: C11H21NO4
분자량: 231.29

이름 및 동의어

(S)-4-HYDROXYMETHYL-2,2-DIMETHYL-OXAZOLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTERRefChem:408047802-260-8108149-65-1(S)-tert-butyl 4-(hydroxymethyl)-2,2-dimethyloxazolidine-3-carboxylate(S)-1-Boc-2,2-Dimethyl-4-hydroxymethyl-oxazolidinetert-Butyl (4S)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylateMFCD11041410tert-butyl (S)-4-(hydroxymethyl)-2,2-dimethyloxazolidine-3-carboxylateSCHEMBL1526136AS-36335B5657

이름 더 보기

(S)-4-하이드록시메틸-2,2-디메틸-옥사졸리딘-3-카르복실산tert-부틸에스테르(S)-N-Boc-4-(hydroxymethyl)-2,2-dimethyloxazolidine(S)-3-Boc-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine(S)-4-Hydroxymethyl-2,2-dimethyl-oxazolidine-3-carboxylic ac...(S)-3-(tert-Butoxycarbonyl)-4-(hydroxymethyl)-2,2-dimethyl-1,3-oxazolidine3-Oxazolidinecarboxylic acid, 4-(hydroxymethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4S)-

CS-0130855(S)-4-hydroxymethyl-2DTXSID40453495IEA14965(S)-tert-butyl4-(hydroxymethyl)-2,2-dimethyloxazolidine-3-carboxylateAKOS015909330SY026602EN300-651262

데이터베이스 식별자

CAS: 108149-65-1
PubChem CID: 11053463
DTXSID: DTXSID40453495
EC Number: 802-260-8
Nikkaji: J889.102H

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 59 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 270

물리화학적 성질

녹는점: 36 °C · 36 °C
끓는 점: 314.1 · 314.1±27.0 °C(Predicted)
밀도: 1.075 · 1.075±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: powder to lump to clear liquid
산도 계수 (pKa): 14.54 · 14.54±0.10(Predicted)
색상: White or Colorless to Light yellow

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

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