에틸3-(((벤질옥시)카르보닐)-(2-에톡시-2-옥소에틸)아미노)프로파노에이트

3-(Benzyloxycarbonyl-ethoxycarbonylmethyl-amino)-propionic acid ethyl ester

HCID 54758795

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 51814-17-6
표준 SMILES: CCOC(=O)CCN(CC(=O)OCC)C(=O)OCc1ccccc1
InChIKey: VEPJDXJBPAPOJL-UHFFFAOYSA-N
분자식: C17H23NO6
평균 분자량: 337.4 g/mol
단동위원소 질량: 337.15253746

이름 및 식별자

우선 이름: 3-(Benzyloxycarbonyl-ethoxycarbonylmethyl-amino)-propionic acid ethyl ester
IUPAC: ethyl 3-[(2-ethoxy-2-oxoethyl)-phenylmethoxycarbonylamino]propanoate
현지명: 에틸3-(((벤질옥시)카르보닐)-(2-에톡시-2-옥소에틸)아미노)프로파노에이트
영어명: Ethyl 3-(((benzyloxy)carbonyl)-(2-ethoxy-2-oxoethyl)amino)propanoate
분자식: C17H23NO6
분자량: 337.37

이름 및 동의어

3-(Benzyloxycarbonyl-ethoxycarbonylmethyl-amino)-propionic acid ethyl esterRefChem:494312692-219-951814-17-6Ethyl 3-(((benzyloxy)carbonyl)-(2-ethoxy-2-oxoethyl)amino)propanoateethyl 3-{[(benzyloxy)carbonyl](2-ethoxy-2-oxoethyl)amino}propanoateethyl 3-[(2-ethoxy-2-oxoethyl)-phenylmethoxycarbonylamino]propanoateMFCD16620779Ethyl 3-[(N-benzyloxycarbonylethoxycarbonyl)methylamino]propanoateSCHEMBL3423094DTXSID80716536VEPJDXJBPAPOJL-UHFFFAOYSA-N

이름 더 보기

에틸3-(((벤질옥시)카르보닐)-(2-에톡시-2-옥소에틸)아미노)프로파노에이트BENZYL 2-(ETHOXYCARBONYL)ETHYL (ETHOXYCARBONYL)METHYLCARBAMATEβ-Alanine, N-(2-ethoxy-2-oxoethyl)-N-[(phenylmethoxy)carbonyl]-, ethyl ester3-[(N-benzyloxycarbonylethoxycarbonyl)methylamino]propanoic acid ethyl ester

AKOS015839328AS-5289F070449ethyl 3-[benzyloxycarbonyl-(2-ethoxy-2-oxo-ethyl)amino]propanoateEthyl3-(((benzyloxy)carbonyl)-(2-ethoxy-2-oxoethyl)amino)propanoateEthyl 3-[N-benzyloxycarbonyl-N-(ethoxycarbonyl methyl)amino]propionateEthyl N-[(benzyloxy)carbonyl]-N-(2-ethoxy-2-oxoethyl)-beta-alaninate

데이터베이스 식별자

CAS: 51814-17-6
PubChem CID: 54758795
DTXSID: DTXSID80716536
EC Number: 692-219-9
Nikkaji: J1.345.900B

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 82.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 12
무거운 원자 수: 24
형식 전하: 0
복잡도: 406

물리화학적 성질

끓는 점: 445.3 · 445.3±45.0 °C(Predicted)
밀도: 1.169 · 1.169±0.06 g/cm3(Predicted)
산도 계수 (pKa): -1.87 · -1.87±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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