기본 정보
- CAS
141699-57-2- 표준 SMILES
CC(C)(C)OC(=O)N1CCC(OS(C)(=O)=O)C1- InChIKey
KWQRKOSMSFLBTJ-UHFFFAOYSA-N- 분자식
- C10H19NO5S
- 평균 분자량
- 265.33 g/mol
- 단동위원소 질량
- 265.09839371
이름 및 식별자
- 우선 이름
- Tert-butyl 3-(methanesulfonyloxy)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-methylsulfonyloxypyrrolidine-1-carboxylate
- 현지명
- 1-BOC-3-메탄설포닐록시피롤리딘
- 영어명
- 1-Boc-3-methanesulfonyloxypyrrolidine
- 분자식
- C10H19NO5S
- 분자량
- 265.33
이름 및 동의어
tert-Butyl 3-((methylsulfonyl)oxy)pyrrolidine-1-carboxylatetert-butyl 3-(methanesulfonyloxy)pyrrolidine-1-carboxylatetert-Butyl 3-[(methylsulfonyl)oxy]pyrrolidine-1-carboxylateRefChem:893122832-476-8141699-57-21-Boc-3-methanesulfonyloxypyrrolidineTert-butyl 3-methylsulfonyloxypyrrolidine-1-carboxylateMFCD041162193-METHANESULFONYLOXY-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER1-(tert-Butoxycarbonyl)pyrrolidin-3-yl methanesulfonatetert-Butyl3-((methylsulfonyl)oxy)pyrrolidine-1-carboxylate
이름 더 보기
1-BOC-3-메탄설포닐록시피롤리딘138883(R)-3-(Methylsulphonyloxy)pyrrolidine1-Boc-3-pyrrolidinyl Methanesulfonate(3S)-N-Boc-3-[(methylsulphonyl)oxy]pyrrolidine(R)-3-(Methylsulfonyloxy)pyrrolidine, N-BOC protected(R)-3-(Methylsulphonyloxy)pyrrolidine, N-BOC protected2-(3-pyrrolidinyloxysulfonyl)acetic acid tert-butyl ester(R)-3-(Methylsulphonyloxy)pyrrolidine, N-BOC protected 95+%
1-pyrrolidinecarboxylic acid, 3-[(methylsulfonyl)oxy]-, 1,1-dimethylethyl ester(R)-3-Methanesulfonyloxy-pyrrolidine-1-carboxylic acid tert-butyl ester1-Boc-3-(methylsulfonyloxy)pyrrolidineN-Boc-3-(methylsulfonyloxy)pyrrolidinetert-Butyl 3-(methylsulfonyloxy)pyrrolidine-1-carboxylate1-BOC-3-((METHYLSULFONYL)OXY)PYRROLIDINESCHEMBL330785DTXSID80399808
데이터베이스 식별자
- CAS
141699-57-2- PubChem CID
- 4139999
- DTXSID
DTXSID80399808- EC Number
- 832-476-8
- Nikkaji
- J1.502.283C
물성
구조 계산 물성
- XLogP
- 0.7
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 378
물리화학적 성질
- 끓는 점
- 392.9 · 392.9±31.0 °C(Predicted)
- 밀도
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- solid
- 산도 계수 (pKa)
- -3.65 · -3.65±0.40(Predicted)
- InChI
- 1S/C10H19NO5S/c1-10(2,3)15-9(12)11-6-5-8(7-11)16-17(4,13)14/h8H,5-7H2,1-4H3/t8-/m1/s1
- InChIKey
- KWQRKOSMSFLBTJ-MRVPVSSYSA-N
- SMILES
- CC(C)(C)OC(=O)N1CC[C@H](C1)OS(C)(=O)=O
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- 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
화학 및 산업
상·하류 제품 정보
상류 원료
하류 제품
공급사47 곳
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Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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