Diethyl 2-aminopentanedioate

HCID 408343CAS 10310-46-0

基本情報

標準SMILES: CCOC(=O)CCC(N)C(=O)OCC
InChIKey: HERPVHLYIHBEFW-UHFFFAOYSA-N
分子式: C9H17NO4
平均分子量: 203.24 g/mol
単同位体質量: 203.11575802

名称と識別子

優先名称: Diethyl 2-aminopentanedioate
IUPAC: diethyl 2-aminopentanedioate

名称と別名

Diethyl 2-aminopentanedioate10310-46-0DTXSID10328242RefChem:337815DTXCID00279350GlutaminsaurediethylesterSCHEMBL374738DTXSID10862550AKOS000280549AKOS02401528055895-85-7PD074851

データベース識別子

CAS: 10310-46-0、55895-85-7
PubChem CID: 408343
DTXSID: DTXSID10328242
EC Number: 637-244-8
Nikkaji: J1.105.549D

物性

構造計算による物性

XLogP: 0.2
極性表面積: 78.6 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 8
重原子数: 14
形式電荷: 0
複雑度: 193

実験および物理化学的性質

CosmeticsAntistatic; Hair conditioning

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, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.