N-benzyloxycarbonyl-DL-3-phenylalanine

HCID 100081

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1161-13-3
표준 SMILES: O=C(NC(Cc1ccccc1)C(=O)O)OCc1ccccc1
InChIKey: RRONHWAVOYADJL-UHFFFAOYSA-N
분자식: C17H17NO4
평균 분자량: 299.32 g/mol
단동위원소 질량: 299.11575802

이름 및 식별자

우선 이름: N-benzyloxycarbonyl-DL-3-phenylalanine
IUPAC: 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid
영어명: N-Carbobenzoxy-DL-phenylalanine
분자식: C17H17NO4
분자량: 299.32

이름 및 동의어

3588-57-6N-Benzyloxycarbonyl-DL-3-phenylalanineEINECS 222-726-9DTXSID001283588NSC 333486N-(Benzyloxycarbonyl)-DL-phenylalanineDL-Phenylalanine, N-((phenylmethoxy)carbonyl)-DL-Phenylalanine, N-[(phenylmethoxy)carbonyl]-RefChem:829268DTXCID00213971222-726-9N-Carbobenzoxy-DL-phenylalanine

이름 더 보기

CBZ-DL-PHECbz-DL-Phe-OHCbz-phenylalanineZ-DL-PHENYLALANINEN-CARBOBENZOXY-DL-PHZ-DL-phenylalanine99%N-CBZ-DL-PHENYLALANINELABOTEST-BB LT00441100

Z-DL-Phe-OH((Benzyloxy)carbonyl)phenylalanine2-(((Benzyloxy)carbonyl)amino)-3-phenylpropanoic acidN-[(Benzyloxy)carbonyl]phenylalaninecbz-dl-phenylalanineMFCD000631502-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoic acid3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid

데이터베이스 식별자

CAS: 1161-13-3、2448-45-5、3588-57-6
PubChem CID: 100081
DTXSID: DTXSID001283588
ChEMBL: CHEMBL25048
EC Number: 222-726-9
Nikkaji: J271.389F

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 22
형식 전하: 0
복잡도: 360

물리화학적 성질

녹는점: 104 °C · 104 °C
끓는 점: 511.5 · 511.5±50.0 °C(Predicted)
밀도: 1.248 · 1.248±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: almost transparency in Methanol
물리적 상태: powder to crystal
산도 계수 (pKa): 3.86 · 3.86±0.10(Predicted)
색상: 흰색에서 거의 흰색

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.