기본 정보
- CAS
888952-55-4- 표준 SMILES
COC(=O)C1(C)CCCN(C(=O)OC(C)(C)C)C1- InChIKey
QCXGMLPZKNFRRV-UHFFFAOYSA-N- 분자식
- C13H23NO4
- 평균 분자량
- 257.33 g/mol
- 단동위원소 질량
- 257.16270822
이름 및 식별자
- 우선 이름
- Methyl1-Boc-3-methylpiperidine-3-carboxylate
- IUPAC
- 1-O-tert-butyl 3-O-methyl 3-methylpiperidine-1,3-dicarboxylate
- 현지명
- 1,3-피페리딘디카르복실산,3-메틸-,1-(1,1-디메틸에틸)3-메틸에스테르
- 영어명
- 1,3-Piperidinedicarboxylic acid, 3-methyl-, 1-(1,1-dimethylethyl) 3-methyl ester
- 분자식
- C13H23NO4
- 분자량
- 257.33
이름 및 동의어
Methyl1-Boc-3-methylpiperidine-3-carboxylateRefChem:818494893-149-3888952-55-41-tert-Butyl 3-methyl 3-methylpiperidine-1,3-dicarboxylateMETHYL 1-BOC-3-METHYLPIPERIDINE-3-CARBOXYLATEMFCD119775021-O-tert-butyl 3-O-methyl 3-methylpiperidine-1,3-dicarboxylateO1-tert-butyl O3-methyl 3-methylpiperidine-1,3-dicarboxylate1,3-PIPERIDINEDICARBOXYLIC ACID, 3-METHYL-, 1-(1,1-DIMETHYLETHYL) 3-METHYL ESTERSCHEMBL3157569DTXSID90677301
이름 더 보기
1,3-피페리딘디카르복실산,3-메틸-,1-(1,1-디메틸에틸)3-메틸에스테르Methyl N-Boc-3-methylpiperidine-3-carboxylateMethyl 1-Boc-3-methylpiperidine-3-carboxylate - [M14146]3-Methyl-1,3-piperidinedicarboxylicacid1-(1,1-dimethylethyl)3-methylester
QCXGMLPZKNFRRV-UHFFFAOYSA-NAKOS015899858PB22595CS-11386SY018678CS-0054667F2287361-(tert-butyl) 3-methyl 3-methylpiperidine-1,3-dicarboxylate
데이터베이스 식별자
- CAS
888952-55-4- PubChem CID
- 46911995
- DTXSID
DTXSID90677301- EC Number
- 893-149-3
물성
구조 계산 물성
- XLogP
- 1.8
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 334
물리화학적 성질
- 끓는 점
- 313.2 · 313.2±35.0 °C(Predicted)
- 밀도
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- -2.44 · -2.44±0.40(Predicted)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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%)
화학 및 산업
상·하류 제품 정보
하류 제품
공급사24 곳
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Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
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