3-메탄술포닐옥시메틸-피롤리딘-1-카르복실산tert부틸에스테르
tert-Butyl 3-(((methylsulfonyl)oxy)methyl)pyrrolidine-1-carboxylate
기본 정보
- CAS
141699-56-1- 표준 SMILES
CC(C)(C)OC(=O)N1CCC(COS(C)(=O)=O)C1- InChIKey
XFRHYGNZDGDQST-UHFFFAOYSA-N- 분자식
- C11H21NO5S
- 평균 분자량
- 279.36 g/mol
- 단동위원소 질량
- 279.11404394
이름 및 식별자
- 우선 이름
- tert-Butyl 3-(((methylsulfonyl)oxy)methyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylate
- 현지명
- 3-메탄술포닐옥시메틸-피롤리딘-1-카르복실산tert부틸에스테르
- 영어명
- 3-Methanesulfonyloxymethyl-pyrrolidine-1-carboxylic acid tert butyl ester
- 분자식
- C11H21NO5S
- 분자량
- 279.35
이름 및 동의어
141699-56-1tert-Butyl 3-(((methylsulfonyl)oxy)methyl)pyrrolidine-1-carboxylate3-Methanesulfonyloxymethyl-pyrrolidine-1-carboxylic acid tert butyl esterTert-butyl 3-(methylsulfonyloxymethyl)pyrrolidine-1-carboxylateMFCD04038482tert-butyl 3-[(methanesulfonyloxy)methyl]pyrrolidine-1-carboxylate1-Boc-3-[(Methanesulfonyloxy)methyl]pyrrolidinetert-butyl 3-((methylsulfonyloxy)methyl)pyrrolidine-1-carboxylate1-Pyrrolidinecarboxylic acid, 3-[[(methylsulfonyl)oxy]methyl]-,1,1-dimethylethyl ester(R)-tert-Butyl 3-(((methylsulfonyl)oxy)-methyl)pyrrolidine-1-carboxylate3-METHANESULFONYLOXYMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER1-Boc-3-methanesulfonyloxymethylpyrrolidine
이름 더 보기
3-메탄술포닐옥시메틸-피롤리딘-1-카르복실산tert부틸에스테르3-MethanesulfonyloxyMethyl-1-Boc-pyrrolidine(1-Boc-3-pyrrolidinyl)methyl Methanesulfonate3-Methanesulfonyloxymethyl-Pyrrolidine-1-Carboxylic acid Ter...(1-(tert-Butoxycarbonyl)pyrrolidin-3-yl)methyl methanesulfonate1,1-Dimethylethyl 3-[[(methylsulfonyl)oxy]methyl]-1-pyrrolidinecarboxylate(3R)-3-(methylsulfonyloxymethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
tert-Butyl 3-{[(methylsulfonyl)oxy]methyl}pyrrolidine-1-carboxylateXFRHYGNZDGDQST-UHFFFAOYSA-NSCHEMBL613606DTXSID60400426RFA69956AKOS015838339tert-butyl 3-[(methanesulfonyloxy)metAB17095
데이터베이스 식별자
- CAS
141699-56-1- PubChem CID
- 4183641
- DTXSID
DTXSID60400426
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 393
물리화학적 성질
- 끓는 점
- 404.4 · 404.4±18.0 °C(Predicted)
- 밀도
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- 저장 조건
- Store at Room Tem.
- 산도 계수 (pKa)
- -2.2 · -2.20±0.40(Predicted)
- 물리적 상태
- solid
- InChI
- 1S/C11H21NO5S/c1-11(2,3)17-10(13)12-6-5-9(7-12)8-16-18(4,14)15/h9H,5-8H2,1-4H3
- InChIKey
- XFRHYGNZDGDQST-UHFFFAOYSA-N
- SMILES
- CC(C)(C)OC(=O)N1CCC(COS(C)(=O)=O)C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- ridadr
- UN 2811 6.1 / PGIII
- HS 번호
- 2933998090
- risk_code
- 25
- hazard_code
- Xi,T
- safety_code
- 45
- 위험 등급
- IRRITANT
- Hazard Classifications
- Acute Tox. 3 Oral
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
관련 반응
14건
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