(2R,4R)-N-Boc-4-히드록시-2-메틸피롤리딘
tert-butyl (2R,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
기본 정보
- CAS
114676-93-6- 표준 SMILES
C[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C- InChIKey
BXZADLGAYWRZCR-HTQZYQBOSA-N- 분자식
- C10H19NO3
- 평균 분자량
- 201.26 g/mol
- 단동위원소 질량
- 201.13649347
이름 및 식별자
- 우선 이름
- tert-butyl (2R,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2R,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
- 현지명
- (2R,4R)-N-Boc-4-히드록시-2-메틸피롤리딘
- 영어명
- (2R,4R)-N-Boc-4-hydroxy-2-methylpyrrolidine
- 분자식
- C10H19NO3
- 분자량
- 201.26
이름 및 동의어
tert-butyl (2R,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylateRefChem:891663871-734-4(2R,4R)-N-BOC-4-HYDROXY-2-METHYLPYRROLIDINE(2R,4R)-TERT-BUTYL 4-HYDROXY-2-METHYLPYRROLIDINE-1-CARBOXYLATEMFCD111097351-Pyrrolidinecarboxylic acid, 4-hydroxy-2-methyl-, 1,1-dimethylethyl ester, (2R,4R)-(2R,4R)-1-Boc-4-Hydroxy-2-methylpyrrolidineSCHEMBL2202251BXZADLGAYWRZCR-HTQZYQBOSA-NAKOS015840329GS-5540
이름 더 보기
(2R,4R)-N-Boc-4-히드록시-2-메틸피롤리딘(2R,4R)-N-Boc-2-methyl-4-hydroxy-prrolidine(2S,4R)-N-Boc-2-methyl-4-hydroxy-pyrrolidine(2R, 4R)-4-Hydroxy-2-methyl-pyrrolidine-1-carboxylic acid tert-butyl ester(2R,4R)-4-Hydroxy-2-methyl-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester
AC-29642SY040746CS-0048636P11072EN300-3490199F434761(2R,4R)-1-(t-butoxycarbonyl)-4-hydroxy-2-methylpyrrolidine(2R,4R)-1-(tert-butoxycarbonyl)-4-hydroxy-2-methylpyrrolidine
데이터베이스 식별자
- CAS
114676-93-6- PubChem CID
- 14117010
- EC Number
- 871-734-4
- Nikkaji
- J998.442I
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 49.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 222
물리화학적 성질
- 끓는 점
- 282 °C · 282 °C
- 밀도
- 1.094 · 1.094
- 인화점
- 125 °C · 125 °C
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 14.751 · 14.751±0.40(predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- HS 번호
- 2933998090
관련 반응
3건
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