5-(Carbobenzoxyamino)valeric acid

HCID 3690024

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 23135-50-4
표준 SMILES: O=C(O)CCCCNC(=O)OCc1ccccc1
InChIKey: QYYPKLYDFCYGPG-UHFFFAOYSA-N
분자식: C13H17NO4
평균 분자량: 251.28 g/mol
단동위원소 질량: 251.11575802

이름 및 식별자

우선 이름: 5-(Carbobenzoxyamino)valeric acid
IUPAC: 5-(phenylmethoxycarbonylamino)pentanoic acid
영어명: 5-(Carbobenzoxyamino)valeric acid
분자식: C13H17NO4
분자량: 251.28

이름 및 동의어

5-(Carbobenzoxyamino)valeric AcidRefChem:530889874-734-223135-50-4Z-5-Ava-OH5-(((Benzyloxy)carbonyl)amino)pentanoic acid5-{[(benzyloxy)carbonyl]amino}pentanoic acid5-(benzyloxycarbonylamino)pentanoic acid5-BENZYLOXYCARBONYLAMINO-PENTANOIC ACID5-(phenylmethoxycarbonylamino)pentanoic acid5-(Carbobenzoxyamino)pentanoic AcidMFCD00188458

이름 더 보기

delta-Carbobenzoxyaminovaleric acidN-δ-Carbobenzoxy-δ-aminovaleric acid5-(Carbobenzoxyamino)valeric Acid >5-(Benzyloxycarbonylamino)valeric acidN-Benzyloxycarbonyl-5-aminovaleric Acid5-(phenylmethoxycarbonylamino)pentanoicaci5-(CARBOBENZOXYAMINO)VALERIC ACID, 98+%(T)

Pentanoic acid, 5-[[(phenylmethoxy)carbonyl]amino]-5-(cbz-amino)pentanoic acidN-Cbz-5-aminopentanoic AcidN-Cbz-5-aminovaleric AcidZ-Ape(5)-OH5-(benzyloxycarbonylamino)valeric acidN-5-Carbobenzoxy-5-aminopentanoic acidCbz-5-Ava-OH

데이터베이스 식별자

CAS: 23135-50-4
PubChem CID: 3690024
DTXSID: DTXSID00395089
ChEMBL: CHEMBL4977709
EC Number: 874-734-2
Nikkaji: J1.143.118F

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 8
무거운 원자 수: 18
형식 전하: 0
복잡도: 262

물리화학적 성질

녹는점: 106 °C · 106 °C
끓는 점: 459.9 · 459.9±38.0 °C(Predicted)
밀도: 1.186 · 1.186±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.72 · 4.72±0.10(Predicted)
물리적 상태: 고체
색상: 회백색
InChI: InChI=1S/C13H17NO4/c15-12(16)8-4-5-9-14-13(17)18-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,14,17)(H,15,16)
InChIKey: QYYPKLYDFCYGPG-UHFFFAOYSA-N
SMILES: C(O)(=O)CCCCNC(OCC1=CC=CC=C1)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

안전 데이터

HS 번호: 2924190090

화학 및 산업

응용 분야

용도5-(Carbobenzoxyamino)valeric acid is commonly used as a protected building block in peptide synthesis and medicinal chemistry, utilizing the CBZ group to shield the primary amine during reactions.