tert-부틸3-(메톡시(메틸)카르바모일)아제티딘-1-카르복실레이트

tert-Butyl 3-(methoxy(methyl)carbamoyl)azetidine-1-carboxylate

HCID 21306970

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 820971-67-3
표준 SMILES: CON(C)C(=O)C1CN(C(=O)OC(C)(C)C)C1
InChIKey: RPCWHOFDACENQM-UHFFFAOYSA-N
분자식: C11H20N2O4
평균 분자량: 244.29 g/mol
단동위원소 질량: 244.14230712

이름 및 식별자

우선 이름: tert-Butyl 3-(methoxy(methyl)carbamoyl)azetidine-1-carboxylate
IUPAC: tert-butyl 3-[methoxy(methyl)carbamoyl]azetidine-1-carboxylate
현지명: tert-부틸3-(메톡시(메틸)카르바모일)아제티딘-1-카르복실레이트
영어명: tert-butyl 3-(methoxy(methyl)carbamoyl)azetidine-1-carboxylate
분자식: C11H20N2O4
분자량: 244.29

이름 및 동의어

820971-67-3tert-Butyl 3-[methoxy(methyl)carbamoyl]azetidine-1-carboxylatetert-Butyl 3-(methoxy(methyl)carbamoyl)azetidine-1-carboxylateDTXSID20612184RefChem:383336DTXCID80562939873-221-0MFCD11975576C11H20N2O41-Boc-N-methoxy-N-methylazetidine-3-carboxamide1-AZETIDINECARBOXYLIC ACID, 3-[(METHOXYMETHYLAMINO)CARBONYL]-, 1,1-DIMETHYLETHYL ESTERtert-butyl 3-{[methoxy(methyl)amino]carbonyl}azetidine-1-carboxylate

이름 더 보기

tert-부틸3-(메톡시(메틸)카르바모일)아제티딘-1-카르복실레이트1-Azetidinecarboxylic acid, 3-[(methoxymethylamino)carbonyl]...tert-butyl 3-(2-(methoxy(methyl)amino)acetyl)azetidine-1-carboxylatetert-Butyl 3-[methoxy(methyl)carbamoyl]azetidine-1-carboxylate - [B2008]3-[(Methoxymethylamino)carbonyl]-1-azetidinecarboxylicacid,1,1-dimethylethylester

3-(Methoxy-methyl-carbamoyl)-azetidine-1-carboxylic acid tert-butyl ester1-Boc-3-(methoxy(methyl)carbamoyl)azetidine1-Boc-3-[Methoxy(Methyl)carbaMoyl]azetidine2702ACSCHEMBL278133RPCWHOFDACENQM-UHFFFAOYSA-NVHB97167AKOS016006364

데이터베이스 식별자

CAS: 820971-67-3
PubChem CID: 21306970
DTXSID: DTXSID20612184
EC Number: 873-221-0

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 59.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 305

물리화학적 성질

끓는 점: 308.1 · 308.1±52.0 °C(Predicted)
밀도: 1.16 · 1.160±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -2.99 · -2.99±0.40(Predicted)
물리적 상태: solid
InChI: 1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-8(7-13)9(14)12(4)16-5/h8H,6-7H2,1-5H3
InChIKey: RPCWHOFDACENQM-UHFFFAOYSA-N
SMILES: CON(C)C(=O)C1CN(C1)C(=O)OC(C)(C)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.