2-N-Boc-aminopropionic acid

HCID 268471

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3744-87-4
표준 SMILES: CC(NC(=O)OC(C)(C)C)C(=O)O
InChIKey: QVHJQCGUWFKTSE-UHFFFAOYSA-N
분자식: C8H15NO4
평균 분자량: 189.21 g/mol

이름 및 식별자

우선 이름: 2-N-Boc-aminopropionic acid
IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
영어명: Boc-DL-alanine
분자식: C8H15NO4
분자량: 189.21

이름 및 동의어

2-N-Boc-aminopropionic acidRefChem:476330846-704-93744-87-4Boc-DL-Ala-OHBOC-DL-ALANINE2-((tert-Butoxycarbonyl)amino)propanoic acidn-boc-dl-alaninetert-Butoxycarbonyl-DL-alaninedl-n-boc-alanine2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidMFCD00063124

이름 더 보기

Boc-DL-AlaBoc-DL-alanine99%Boc-DL-Ala-OH98.5+%Boc-DL-alanine ,98%N-Boc-DL-alanine,97%Atazanavir Impurity 52Boc-DL-alanine USP/EP/BP2-N-Boc-aMino-propionic acid

N-(tert-Butoxycarbonyl)alanine2-(tert-butoxycarbonylamino)propanoic acid(tert-Butoxycarbonyl)DL-alanine2-[(tert-butoxycarbonyl)amino]propanoic acidM06166tert.-butoxycarbonylamino-propionic acid2-(tert-butoxycarbonylamino)-propionic acid2-{[(tert-butoxy)carbonyl]amino}propanoic acid

데이터베이스 식별자

CAS: 3744-87-4
PubChem CID: 268471
EC Number: 846-704-9
Nikkaji: J1.293.181F

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 13
형식 전하: 0
복잡도: 207

물리화학적 성질

녹는점: 109 °C · 109 °C
끓는 점: 320.9 · 320.9±25.0 °C(Predicted)
밀도: 1.126 · 1.126±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 1 % · Soluble in water or 1% acetic acid
물리적 상태: 가루
산도 계수 (pKa): 4.02 · 4.02±0.10(Predicted)
색상: White to off-white

화학적 성질

White to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

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