Methyl 2-amino-2-ethylbutanoate hydrochloride

HCID 75488114

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 92398-54-4
標準SMILES: CCC(N)(CC)C(=O)OC.Cl
InChIKey: BIODDQGVQGOUQK-UHFFFAOYSA-N
分子式: C7H16ClNO2
平均分子量: 181.66 g/mol
単同位体質量: 181.0869564

名称と識別子

優先名称: Methyl 2-amino-2-ethylbutanoate hydrochloride
IUPAC: methyl 2-amino-2-ethylbutanoate;hydrochloride
英語名: methyl 2-amino-2-ethylbutanoate hydrochloride
分子式: C7H16ClNO2
分子量: 181.66

名称と別名

92398-54-4Methyl 2-amino-2-ethylbutanoate hydrochlorideRefChem:813896821-976-12-amino-2-ethyl-butanoic acid methyl ester hydrochlorideButanoic acid, 2-amino-2-ethyl-, methyl ester, hydrochloridemethyl 2-amino-2-ethylbutanoate;hydrochlorideSCHEMBL1273805BIODDQGVQGOUQK-UHFFFAOYSA-NMFCD25969047Methyl 2-Amino-2-ethylbutanoate HClBS-33166

名称をさらに表示

H-Deg-OMe.HCl

Methyl2-amino-2-ethylbutanoatehydrochlorideCS-0169471EN300-119914G45796methyl 2-amino-2-ethyl-butanoate;hydrochloride

データベース識別子

CAS: 92398-54-4
PubChem CID: 75488114
EC Number: 821-976-1

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: 11
形式電荷: 0
複雑度: 119

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.