Carbobenzoxyglycylglycine

HCID 95686

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 2566-19-0
표준 SMILES: O=C(O)CNC(=O)CNC(=O)OCc1ccccc1
InChIKey: VFRCXEHNAFUTQC-UHFFFAOYSA-N
분자식: C12H14N2O5
평균 분자량: 266.25 g/mol
단동위원소 질량: 266.09027155

이름 및 식별자

우선 이름: Carbobenzoxyglycylglycine
IUPAC: 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetic acid
영어명: Cbz-Gly-Gly
분자식: C12H14N2O5
분자량: 266.25

이름 및 동의어

2566-19-0Cbz-gly-glyCarbobenzoxyglycylglycineCarbobenzoxy-gly-glyGlycine, N-[N-[(phenylmethoxy)carbonyl]glycyl]-NSC-29727J4384F9CHJDTXSID00180356Glycine, N-(N-((phenylmethoxy)carbonyl)glycyl)-RefChem:123533DTXCID101028472-(2-(((Benzyloxy)carbonyl)amino)acetamido)acetic acid

이름 더 보기

N-CBZ-GLY-GLYZ-GLYCYL GLYCINEAKOS BBS-00007676N-CBZ-GLYCYLGLYCINECBZ-GLYCINE-GLYCINECbz-Gly-Gly USP/EP/BP

Z-Gly-Gly-OHN-[(benzyloxy)carbonyl]glycylglycine(N-Cbz-glycyl)glycineCbz-Gly-Gly-OH(Carbobenzoxy)glycylglycineMFCD000377832-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetic acidZ-Gly-Gly

데이터베이스 식별자

CAS: 2566-19-0
PubChem CID: 95686
DTXSID: DTXSID00180356
ChEMBL: CHEMBL3810057
UNII: J4384F9CHJ
EC Number: 802-238-8
Nikkaji: J605.949J

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 105 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 19
형식 전하: 0
복잡도: 326

물리화학적 성질

녹는점: 178 °C · 178 °C
끓는 점: 587.2 · 587.2±45.0 °C(Predicted)
밀도: 1.323 · 1.323±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(매우 소량, 가열)
산도 계수 (pKa): 3.41 · 3.41±0.10(Predicted)
물리적 상태: 고체
색상: 흰색에서 황백색까지
InChI: InChI=1S/C12H14N2O5/c15-10(13-7-11(16)17)6-14-12(18)19-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,15)(H,14,18)(H,16,17)
InChIKey: VFRCXEHNAFUTQC-UHFFFAOYSA-N
SMILES: C(O)(=O)CNC(=O)CNC(OCC1=CC=CC=C1)=O

화학적 성질

White to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationGlycine, N-N-(phenylmethoxy)carbonylglycyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)