beta-Alanine, ethyl ester, hydrochloride

HCID 458475CAS 4244-84-2

基本情報

標準SMILES: CCOC(=O)CCN.Cl
InChIKey: RJCGNNHKSNIUAT-UHFFFAOYSA-N
分子式: C5H12ClNO2
平均分子量: 153.61 g/mol
単同位体質量: 153.0556563

名称と識別子

優先名称: beta-Alanine, ethyl ester, hydrochloride
IUPAC: ethyl 3-aminopropanoate;hydrochloride

名称と別名

4244-84-2Ethyl beta-alaninate hydrochloridebeta-Alanine, ethyl ester, hydrochlorideRefChem:1079582210-507-0224-203-0ethyl 3-aminopropanoate hydrochloridebeta-Alanine ethyl ester hydrochlorideEthyl 3-aminopropionate hydrochlorideH-beta-Ala-OEt.HClMFCD00012909Ethyl beta-alaninate HCl

名称をさらに表示

5PFW4XA3XGb-alanine ethyl ester hydrochlorideethyl 3-aminopropanoate;hydrochlorideEINECS 224-203-0UNII-5PFW4XA3XGNSC-119551SCHEMBL29883-Aminopropionic Acid Ethyl Ester Hydrochloride

データベース識別子

CAS: 4244-84-2
PubChem CID: 458475
DTXSID: DTXSID60195224
ChEMBL: CHEMBL1880930
UNII: 5PFW4XA3XG
EC Number: 224-203-0

物性

構造計算による物性

極性表面積: 52.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 9
形式電荷: 0
複雑度: 72.8

安全と法規制

GHS分類

GHS Classification · 4 件

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.