(3R)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid

HCID 7009737

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 331763-75-8
표준 SMILES: CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccc(Br)cc1
InChIKey: GYXZKHKUVVKDHI-GFCCVEGCSA-N
분자식: C15H20BrNO4
평균 분자량: 358.23 g/mol

이름 및 식별자

우선 이름: (3R)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid
IUPAC: (3R)-4-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
영어명: Boc-(R)-3-amino-4-(4-bromo-phenyl)-butyric acid
분자식: C15H20BrNO4
분자량: 358.23

이름 및 동의어

331763-75-8(3R)-4-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}butanoic acid(3R)-4-(4-bromophenyl)-3-(((tert-butoxy)carbonyl)amino)butanoic acidRefChem:400969800-811-7(R)-4-(4-Bromophenyl)-3-((tert-butoxycarbonyl)amino)butanoic acidBoc-(R)-3-amino-4-(4-bromo-phenyl)-butyric acidMFCD01860917(3R)-4-(4-bromophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid(R)-4-Bromo-b-(Boc-amino)benzenebutanoic acid(3R)-4-(4-Bromophenyl)-3-(tert-butoxycarbonylamino)butanoic acidSCHEMBL740135

이름 더 보기

RARECHEM AK PT B064Boc-D-b-HoPhe(4-Br)-OHBOC-D-Β-HOPHE(4-BR)-OHBoc-D-β-HomoPhe(4-Br)-OHBOC-D-BETA-HOPHE(4-BR)-OHBOC-D-PHE(4-BR)-(C*CH2)OHBoc-(R)-beta-4-BromophenylalanineBoc-(R)-3-Amino-4-(4-bromo-phenyl)-buty

Boc-D-beta-HPhe(4-Br)-OHGYXZKHKUVVKDHI-GFCCVEGCSA-NBoc-4-bromo-D-beta-homophenylalanineAKOS025146597DS-7433SY255043CS-0094398EN300-816754

데이터베이스 식별자

CAS: 331763-75-8
PubChem CID: 7009737
EC Number: 800-811-7

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 21
형식 전하: 0
복잡도: 359

물리화학적 성질

녹는점: 144 · 144-146℃
끓는 점: 491.9 · 491.9±40.0 °C(Predicted)
밀도: 1.37 · 1.370
저장 조건: Store at room temperature
산도 계수 (pKa): 4.4 · 4.40±0.10(Predicted)

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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.