기본 정보
- CAS
120807-02-5- 표준 SMILES
CS(=O)(=O)O[C@H]1C[C@@H](C(=O)O)N(C(=O)c2ccccc2)C1- InChIKey
ZLUIBJGFQFHEPT-QWRGUYRKSA-N- 분자식
- C13H15NO6S
- 평균 분자량
- 313.33 g/mol
- 단동위원소 질량
- 313.0620082
이름 및 식별자
- 우선 이름
- cis-1-benzoyl-4-((4-methylsulfonyl)oxy)-L-proline
- IUPAC
- (2S,4S)-1-benzoyl-4-methylsulfonyloxypyrrolidine-2-carboxylic acid
- 현지명
- (4S)-N-BENZOYL-4-(MESYLOXY)-L-프롤린
- 영어명
- (4S)-N-BENZOYL-4-(MESYLOXY)-L-PROLINE
- 분자식
- C13H15NO6S
- 분자량
- 313.33
이름 및 동의어
cis-1-benzoyl-4-((4-methylsulfonyl)oxy)-L-prolineEC 416-040-0cis-1-benzoyl-4-[(4-methylsulfonyl)oxy]-L-prolineL-Proline, 1-benzoyl-4-((methylsulfonyl)oxy)-, cis-L-Proline, 1-benzoyl-4-[(methylsulfonyl)oxy]-, cis-RefChem:577290416-040-0601-740-2120807-02-5129155-63-1(2S,4S)-1-Benzoyl-4-((methylsulfonyl)oxy)pyrrolidine-2-carboxylic acid(2S,4S)-1-BENZOYL-4-(METHANESULFONYLOXY)PYRROLIDINE-2-CARBOXYLIC ACID
이름 더 보기
(4S)-N-BENZOYL-4-(MESYLOXY)-L-프롤린N-benzoyl-4-cis-(methanesulfonyloxy)-L-prolineL-Proline, 1-benzoyl-4-[(methylsulfonyl)oxy]-, cis- (9CI)
cis-1-Benzoyl-4-mesyloxy-L-proline(4S)-N-BENZOYL-4-(MESYLOXY)-L-PROLINESCHEMBL10467900DTXSID20923565(2S,4S)-1-benzoyl-4-methylsulfonyloxypyrrolidine-2-carboxylic acidAKOS022180568(cis)-1-benzoyl-4-mesyloxy-L-proline1-Benzoyl-4-[(methanesulfonyl)oxy]proline
데이터베이스 식별자
- CAS
120807-02-5、129155-63-1
물성
구조 계산 물성
- XLogP
- 0.6
- 극성 표면적
- 109 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 505
물리화학적 성질
- 녹는점
- 172 · 172-173 °C
- 끓는 점
- 591.7 · 591.7±50.0 °C(Predicted)
- 밀도
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.76 · 3.76±0.10(Predicted)
안전 및 규제
GHS 분류
GHS Classification
H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationStatus: Active Update: 09-12-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/13997
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Hazardous to the aquatic environment (chronic) - category 3
Aquatic Chronic 3
안전 데이터
- risk_code
- 52/53
- safety_code
- 61
화학 및 산업
공급사2 곳
浙江华海药业股份有限公司0576-85016990 15014006640 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
관련 반응
2건
화합물 노트
불러오는 중…