TERT-부틸3-(2-하이드록시에틸)아제티딘-1-카복실레이트

tert-Butyl 3-(2-hydroxyethyl)azetidine-1-carboxylate

HCID 22594530

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 152537-03-6
표준 SMILES: CC(C)(C)OC(=O)N1CC(CCO)C1
InChIKey: PIEFOIGZJZFQQJ-UHFFFAOYSA-N
분자식: C10H19NO3
평균 분자량: 201.26 g/mol
단동위원소 질량: 201.13649347

이름 및 식별자

우선 이름: tert-Butyl 3-(2-hydroxyethyl)azetidine-1-carboxylate
IUPAC: tert-butyl 3-(2-hydroxyethyl)azetidine-1-carboxylate
현지명: TERT-부틸3-(2-하이드록시에틸)아제티딘-1-카복실레이트
영어명: TERT-BUTYL 3-(2-HYDROXYETHYL)AZETIDINE-1-CARBOXYLATE
분자식: C10H19NO3
분자량: 201.26

이름 및 동의어

152537-03-6TERT-BUTYL 3-(2-HYDROXYETHYL)AZETIDINE-1-CARBOXYLATEDTXSID10626710RefChem:188188DTXCID40577463812-604-9MFCD106992801-BOC-3-(2-HYDROXYETHYL)AZETIDINE1-BOC-3-(HYDROXYETHYL)AZETIDINE3-(2-HYDROXY-ETHYL)-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERSCHEMBL12771821-AZETIDINECARBOXYLIC ACID, 3-(2-HYDROXYETHYL)-, 1,1-DIMETHYLETHYL ESTER

이름 더 보기

TERT-부틸3-(2-하이드록시에틸)아제티딘-1-카복실레이트1-Boc-3-(hydroxyethyl)aze...N-Boc-2-(azetidin-3-yl)ethanol(2E)-3-(5-methyl-13-furyl)acrylic acidtert-butyl 3-(2-hydroxyethyl)azetidine-1-carboxyl3-(2-hydroxyethyl)-1-azetidinecarboxylic acid tert-butyl estertert-Butyl 3-(2-hydroxyethyl)azetidine-1-carboxylate - [B0298]1-Azetidinecarboxylic acid, 3-(2-hydroxyethyl)-, 1,1-dimethy...

AKOS016008649AS-32887SY032526BCP21214FT-0684760orb31758353-(2-HYDRPB31502

데이터베이스 식별자

CAS: 152537-03-6
PubChem CID: 22594530
DTXSID: DTXSID10626710
EC Number: 812-604-9

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 14
형식 전하: 0
복잡도: 204

물리화학적 성질

끓는 점: 287.4 · 287.4±13.0 °C(Predicted)
밀도: 1.092 · 1.092±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 15.05 · 15.05±0.10(Predicted)
물리적 상태: 기름
색상: 노란색
InChI: InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-8(7-11)4-5-12/h8,12H,4-7H2,1-3H3
InChIKey: PIEFOIGZJZFQQJ-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CC(CCO)C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.