CAS 51440-81-4 3-{[(Benzyloxy)carbonyl]amino}butanoic acid (HCID 304280)

基本情報

CAS: 51440-81-4
標準SMILES: CC(CC(=O)O)NC(=O)OCc1ccccc1
InChIKey: HYWJKPFAIAWVHP-UHFFFAOYSA-N
分子式: C12H15NO4
平均分子量: 237.25 g/mol
単同位体質量: 237.10010796

名称と識別子

優先名称: 3-{[(Benzyloxy)carbonyl]amino}butanoic acid
IUPAC: 3-(phenylmethoxycarbonylamino)butanoic acid
現地名: 3-{[(ベンジルオキシ)カルボニル]アミノ}ブタン酸
英語名: Z-3-aminobutyric acid
分子式: C12H15NO4
分子量: 237.25

名称と別名

3-(((Benzyloxy)carbonyl)amino)butanoic acid3-{[(benzyloxy)carbonyl]amino}butanoic acid3-([(Benzyloxy)carbonyl]amino)butanoic acidDTXSID603078603-[[(benzyloxy)carbonyl]amino]butanoic acidRefChem:505508DTXCID40258987622-795-951440-81-43-(phenylmethoxycarbonylamino)butanoic acidZ-3-Aminobutyric acid3-(CBZ-AMINO)BUTANOIC ACID

名称をさらに表示

3-{[(ベンジルオキシ)カルボニル]アミノ}ブタン酸Z-DL-3-Abu-OHZ-DL-β-Homoala-OHZ-DL-β-HomoalanineRARECHEM AK RZ 0058Z-DL-BETA-HOMOALA-OHCBZ-DL-β-HoMoalanineZ-DL-BETA-HOMOALANINEZ-3-AMINOBUTYRIC ACID USP/EP/BP

Z-DL-|A-Homoalanine3-(Cbz-amino)-butanoic acidButanoic acid, 3-[[(phenylmethoxy)carbonyl]amino]-MFCD02094550Z-beta-D-HomoAla-OH(Z-D-3-Abu-OH)Cbz-D-beta-homoalanineNSC195918Z-L-beta-Homoalanine

データベース識別子

CAS: 51440-81-4
PubChem CID: 304280
DTXSID: DTXSID60307860
EC Number: 622-795-9
Nikkaji: J1.789.950C

物性

構造計算による物性

XLogP: 1.4
極性表面積: 75.6 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 6
重原子数: 17
形式電荷: 0
複雑度: 261

物理化学的性質

貯蔵温度: 2 · 2-8°C

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.