메틸CBZ-아미노(디에톡시포스포릴)아세테이트

Methyl 2-(((benzyloxy)carbonyl)amino)-2-(diethyl phosphono)acetate

HCID 11068333

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 114684-69-4
표준 SMILES: CCOP(=O)(OCC)C(NC(=O)OCc1ccccc1)C(=O)OC
InChIKey: KREPFQCNXAYHAW-UHFFFAOYSA-N
분자식: C15H22NO7P
평균 분자량: 359.31 g/mol
단동위원소 질량: 359.11338904

이름 및 식별자

우선 이름: Methyl 2-(((benzyloxy)carbonyl)amino)-2-(diethyl phosphono)acetate
IUPAC: methyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
현지명: 메틸CBZ-아미노(디에톡시포스포릴)아세테이트
영어명: Methyl Cbz-amino(diethoxyphosphoryl)acetate
분자식: C15H22NO7P
분자량: 359.31

이름 및 동의어

methyl 2-{[(benzyloxy)carbonyl]amino}-2-(diethyl phosphono)acetateMethyl 2-(((benzyloxy)carbonyl)amino)-2-(diethyl phosphono)acetateRefChem:813002814-874-3114684-69-4Methyl 2-(((benzyloxy)carbonyl)amino)-2-(diethoxyphosphoryl)acetateMETHYL CBZ-AMINO(DIETHOXYPHOSPHORYL)ACETATEBenzyloxycarbonylamino-(diethoxy-phosphoryl)-acetic acid methyl esterMFCD09878835Acetic acid, 2-(diethoxyphosphinyl)-2-[[(phenylmethoxy)carbonyl]amino]-, methyl estermethyl 2-(benzyloxycarbonylamino)-2-(diethoxyphosphoryl)acetatemethyl 2-diethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate

이름 더 보기

메틸CBZ-아미노(디에톡시포스포릴)아세테이트-2-(diethoxyphosphoryl)Methyl 2-(Cbz-amino)-2-(diethoxyphosphoryl)acetatemethyl 2-(benzyloxycarbonylamino)-2-(diethyloxyphosphoryl)acetateethyl2-(((benzyloxy)carbonyl)amino)-2-(diethoxyphosphoryl)acetateMethyl 2-(diethoxyphosphinyl)-2-[[(phenylmethoxy)carbonyl]amino]acetate

Methyl2-(((benzyloxy)carbonyl)amino)-2-(diethoxyphosphoryl)acetateKREPFQCNXAYHAW-UHFFFAOYSA-NC15H22NO7PSCHEMBL1239037DTXSID20454061PEA68469AKOS015912325DA-47761

데이터베이스 식별자

CAS: 114684-69-4
PubChem CID: 11068333
DTXSID: DTXSID20454061
EC Number: 814-874-3
Nikkaji: J813.551G

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 100 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 11
무거운 원자 수: 24
형식 전하: 0
복잡도: 441

물리화학적 성질

녹는점: 79 · 79-81℃
끓는 점: 500.6 · 500.6±50.0 °C(Predicted)
밀도: 1.235 · 1.235±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 9.59 · 9.59±0.46(Predicted)
InChI: InChI=1S/C15H22NO7P/c1-4-22-24(19,23-5-2)13(14(17)20-3)16-15(18)21-11-12-9-7-6-8-10-12/h6-10,13H,4-5,11H2,1-3H3,(H,16,18)
InChIKey: KREPFQCNXAYHAW-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(P(OCC)(OCC)=O)NC(OCC1=CC=CC=C1)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Skin Sens. 1 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2931499090

화학 및 산업

상·하류 제품 정보

상류 원료

공급사51 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

成都市久鼎化学技术有限公司18584079237 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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