Methyl azetidine-3-carboxylate hydrochloride

HCID 21100040

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 100202-39-9
표준 SMILES: COC(=O)C1CNC1.Cl
InChIKey: UOCWTLBPYROHEF-UHFFFAOYSA-N
분자식: C5H10ClNO2
평균 분자량: 151.59 g/mol
단동위원소 질량: 151.04000624

이름 및 식별자

우선 이름: Methyl azetidine-3-carboxylate hydrochloride
IUPAC: methyl azetidine-3-carboxylate;hydrochloride
영어명: 3-AZETIDINECARBOXYLIC ACID, METHYL ESTER, HYDROCHLORIDE
분자식: C5H10ClNO2
분자량: 151.59

이름 및 동의어

Methyl azetidine-3-carboxylate hydrochlorideRefChem:817633815-099-3100202-39-9Azetidine-3-carboxylic acid methyl ester hydrochloride3-AZETIDINECARBOXYLIC ACID, METHYL ESTER, HYDROCHLORIDEMFCD01861758methyl azetidine-3-carboxylate HClmethyl azetidine-3-carboxylate;hydrochloride3-Azetidinecarboxylic acid, methyl ester, hydrochloride (1:1)Methyl azetidine-3-carboxylate (hydrochloride)METHYL 3-AZETIDINECARBOXYLATE HYDROCHLORIDE

이름 더 보기

Azetidine-3-carboxylic methyl ester hrdrochloride3-Azetidinecarboxylic acid, methyl ester, hydrochloride (1:1) CAS_EXAMPLEMethyl azetidine-3-carbox...Methyl 3-Azetidine carboxylate HClAZETIDINE-3-CARBOXYLIC METHYL ESTER HCL3-AZETIDINECARBOXYLIC ACID, MEHYDROCHLORIDE3-Azetidinecarboxylic acid methyl ester HClAZETIDINE-3-CARBOXYLIC ACID METHYL ESTER HCL

AKOS015845781PB17252Methylazetidine-3-carboxylate hydrochloridehydrogen chloride methyl 3-azetidinecarboxylateazetidine-3-carboxylate methyl ester hydrochlorideazetidine-3-carboxylic methyl ester hydrochlorideAzetidine-3-Methyl carboxylate HydrochlorideBCP34274

데이터베이스 식별자

CAS: 100202-39-9
PubChem CID: 21100040
DTXSID: DTXSID70610756
UNII: ZP3S394KYH
EC Number: 815-099-3

물성

구조 계산 물성

극성 표면적: 38.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 98.6

물리화학적 성질

녹는점: 93 to · 93.0 to 97.0 °C
끓는 점: 187 · 187-192℃
인화점: 69 ° · 69°(156°F)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
수용성: 물에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
InChI: InChI=1S/C5H9NO2.ClH/c1-8-5(7)4-2-6-3-4;/h4,6H,2-3H2,1H3;1H
InChIKey: UOCWTLBPYROHEF-UHFFFAOYSA-N
SMILES: C(C1CNC1)(=O)OC.Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (20%): 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)

Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (20%)

안전 데이터

wgk: WGK 3
HS 번호: 2933998090
risk_code: 36
safety_code: 26
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도Methyl Azetidine-3-carboxylate Hydrochloride can be used to prepare inhibitors of of human glycogen phosphorylase to treat hyperglycemia, hyperinsulinemia, hyperlipidemia, insulin resistance or tissue ischemia.