Methyl 1-Methyl-4-piperidinecarboxylate

HCID 3616844CAS 1690-75-1

기본 정보

표준 SMILES: COC(=O)C1CCN(C)CC1
InChIKey: KYAOKPRJTMFBTQ-UHFFFAOYSA-N
분자식: C8H15NO2
평균 분자량: 157.21 g/mol
단동위원소 질량: 157.11027872

이름 및 식별자

우선 이름: Methyl 1-Methyl-4-piperidinecarboxylate
IUPAC: methyl 1-methylpiperidine-4-carboxylate
영어명: N-Methyl-4-piperidinecarboxylic acid methyl ester
분자식: C8H15NO2
분자량: 157.21

이름 및 동의어

4-Piperidinecarboxylic acid, 1-methyl-, methyl esterMethyl 1-Methyl-4-piperidinecarboxylateRefChem:812753834-601-1Methyl 1-methylpiperidine-4-carboxylate1690-75-1MFCD06658483N-METHYL-4-PIPERIDINECARBOXYLIC ACID METHYL ESTER1-Methyl-piperidine-4-carboxylic acid methyl esterMethyl N-methyl-4-piperidinecarboxylateMethyl N-methylisonipecotinateMethyl1-methylpiperidine-4-carboxylate

이름 더 보기

1-methylisonipecotic acid methyl esterMethyl N-methylPiperidine-4-carboxylate1N-methyl piperidine-4-carboxylate, methyl esterMethyl-4-piperidine carboxylic acid methyl esterN-METHYLPIPERIDINE-4-CARBOXYLIC ACID METHYL ESTER1-METHYL-4-PIPERIDINECARBOXYLIC ACID METHYL ESTER

BL000686SY016044CS-00200791-methyl-4-piperidinecarboxylic acid, methyl esterPeridine Impurity 15FT-0602459methyl 1-methylisonipecotateA811053

데이터베이스 식별자

CAS: 1690-75-1
PubChem CID: 3616844
DTXSID: DTXSID70394342
EC Number: 834-601-1

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 139

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

끓는 점: 202 °C · 202°C(lit.)
밀도: 1.0806 · 1.0806 (rough estimate)
굴절률: 1.452 to · 1.4520 to 1.4560
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
산도 계수 (pKa): 8.43 · 8.43±0.10(Predicted)
색상: 무색~연황색
InChI: InChI=1S/C8H15NO2/c1-9-5-3-7(4-6-9)8(10)11-2/h7H,3-6H2,1-2H3
InChIKey: KYAOKPRJTMFBTQ-UHFFFAOYSA-N
SMILES: N1(C)CCC(C(OC)=O)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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: 2933399990

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

Methyl1-methyl-1,2,3,6-tetrahydropyridine-4-carboxylate

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

烟台宇晨生物医药有限公司0535-7295056 15692356085 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

연결된 노트

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