기본 정보
- CAS
59857-86-2- 표준 SMILES
COC(=O)C1CC(=O)N(C)C1- InChIKey
JFZRRXGXEHUJCI-UHFFFAOYSA-N- 분자식
- C7H11NO3
- 평균 분자량
- 157.17 g/mol
- 단동위원소 질량
- 157.07389321
이름 및 식별자
- 우선 이름
- 1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester
- IUPAC
- methyl 1-methyl-5-oxopyrrolidine-3-carboxylate
- 현지명
- 1-메틸-5-옥소-3-피롤리딘카르복실산메틸에스테르
- 영어명
- 1-Methyl-5-oxo-3-pyrrolidinecarboxylic acid methyl ester
- 분자식
- C7H11NO3
- 분자량
- 157.17
이름 및 동의어
1-Methyl-5-oxo-pyrrolidine-3-carboxylic acid methyl esterRefChem:434477692-371-659857-86-2methyl 1-methyl-5-oxopyrrolidine-3-carboxylateMethyl 1-Methyl-2-oxopyrrolidine-4-carboxylate1-Methyl-5-oxo-3-pyrrolidinecarboxylic acid methyl ester3-Pyrrolidinecarboxylic acid, 1-methyl-5-oxo-, methyl esterMFCD00015898CHEMBL4448567Methyl 1-methylpyrrolidin-5-one-3-carboxylateBRN 0473460
이름 더 보기
1-메틸-5-옥소-3-피롤리딘카르복실산메틸에스테르Methyl 1-methylpyrrolidin-2-one-4-carboxylatemethyl 1-methyl-5-oxo-3-pyrrolidinecarboxylateMethyl1-methyl-5-oxopyrrolidine-3-carboxylate,97%5-keto-1-methyl-pyrrolidine-3-carboxylic acid methyl ester
1-Methyl-4-methyloxycarbonyl-2-pyrrolidoneMethyl1-Methyl-2-oxopyrrolidine-4-carboxylate5-22-06-00040 (Beilstein Handbook Reference)SCHEMBL121399orb30297521-Methyl-5-oxopyrrolidine-3-carboxylic acid methyl esterDTXSID60872043JFZRRXGXEHUJCI-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
59857-86-2- PubChem CID
- 108402
- DTXSID
DTXSID60872043- ChEMBL
CHEMBL4448567- EC Number
- 692-371-6
- Nikkaji
- J377.329I
물성
구조 계산 물성
- XLogP
- -0.7
- 극성 표면적
- 46.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 190
실험 및 물리화학적 성질
LogP-0.74
물리화학적 성질
- 녹는점
- 15 °C · 15 °C
- 끓는 점
- 160 · 160-161 °C(Press: 18 Torr)
- 밀도
- 1.173 · 1.173±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Storage temp. 2-8°C
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- -1.79 · -1.79±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+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- HS 번호
- 2933998090
화학 및 산업
응용 분야
용도Methyl 1-Methyl-5-oxopyrrolidine-3-carboxylate is a dehydrogenase inhibitors.
공급사39 곳
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