CAS 174346-82-8 tert-Butyl 2-(hydroxymethyl)azetidine-1-carboxylate (HCID 14821739)

기본 정보

CAS: 174346-82-8
표준 SMILES: CC(C)(C)OC(=O)N1CCC1CO
InChIKey: XIRUXUKRGUFEKC-UHFFFAOYSA-N
분자식: C9H17NO3
평균 분자량: 187.24 g/mol
단동위원소 질량: 187.1208434

이름 및 식별자

우선 이름: tert-Butyl 2-(hydroxymethyl)azetidine-1-carboxylate
IUPAC: tert-butyl 2-(hydroxymethyl)azetidine-1-carboxylate
현지명: 2-하이드록시메틸-아제티딘-1-카복실산tert-부틸에스테르
영어명: 2-Hydroxymethyl-azetidine-1-carboxylic acid tert-butyl ester
분자식: C9H17NO3
분자량: 187.24

이름 및 동의어

174346-82-8tert-Butyl 2-(hydroxymethyl)azetidine-1-carboxylate1-Boc-2-azetidinemethanolMFCD037909361-Azetidinecarboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester2-HYDROXYMETHYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERN-Boc-2-AzetidinemethanolALLEOSSCHEMBL71904SCHEMBL4967116DTXSID805644181-Boc-2-(hydroxymethyl)azetidine

이름 더 보기

2-하이드록시메틸-아제티딘-1-카복실산tert-부틸에스테르1-BOC-2-HYDROXYMETHYL-AZETIDINE1-Boc-2-azetidinemethanol - [B8003]1-(tert-Butoxycarbonyl)-2-azetidinemethanol[1-(TERT-BUTOXYCARBONYL)AZETIDIN-2-YL]METHANOLR,S-1-[(1,1-Dimethylethoxy)carbonyl]azetidine-2-methanol1,1-Dimethylethyl 2-(hydroxymethyl)-1-azetidinecarboxylate

XIRUXUKRGUFEKC-UHFFFAOYSA-N1-Boc-2-(hyxdroxymethyl)azetidineZGA34682AKOS005264547PB10267PB18632PB20800AS-42891

데이터베이스 식별자

CAS: 174346-82-8
PubChem CID: 14821739
DTXSID: DTXSID80564418

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 198

물리화학적 성질

끓는 점: 270.3 · 270.3±13.0 °C(Predicted)
밀도: 1.115 · 1.115±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 14.77 · 14.77±0.10(Predicted)

안전 및 규제

안전 데이터

HS 번호: 2933998090

화학 및 산업

응용 분야

용도[1-(tert-Butoxycarbonyl)azetidin-2-yl]methanol is used as a potential positiron emission tomography imaging agents for nicotinic acetylcholine receptors.