2-(1H-imidazol-1-yl)ethanamine

HCID 430667CAS 5739-10-6

基本情報

標準SMILES: NCCn1ccnc1
InChIKey: YCIRHAGYEUJTFH-UHFFFAOYSA-N
分子式: C5H9N3
平均分子量: 111.15 g/mol
単同位体質量: 111.07964729

名称と識別子

優先名称: 2-(1H-imidazol-1-yl)ethanamine
IUPAC: 2-imidazol-1-ylethanamine
英語名: 2-(1H-Imidazol-1-yl)ethanamine
分子式: C5H9N3
分子量: 111.15

名称と別名

2-(1H-Imidazol-1-yl)ethanamineRefChem:451399815-875-15739-10-61H-Imidazole-1-ethanamine2-Imidazol-1-yl-ethylamine2-(1H-imidazol-1-yl)ethan-1-amine2-imidazol-1-ylethanamine1-(2-aminoethyl)imidazoleMFCD030930422-imidazolylethylamine[2-(1H-IMIDAZOL-1-YL)ETHYL]AMINE

名称をさらに表示

2-ethyl imidazoleamineN-(2-Aminoethyl)imidazole1H-Imidazole-1-ethanamine 2HCl2-Imidazol-1-yl-ethylamine15002-IMIDAZOL-1-YL-ETHYLAMINE 2HCL1H-Imidazole-1-ethanamine (9CI, ACI)2-IMIDAZOL-1-YL-ETHYLAMINE DIHYDROCHLORIDE

1H-Imidazole-1-ethanamine, dihydrochloride2-(1-Imidazolyl)ethylamine Dihydrochlorideb-imidazolylethylamineN-(2-aminoethyl)-imidazole2-(imidazol-1-yl)ethylamineSCHEMBL311448SCHEMBL2385983SCHEMBL2884166

データベース識別子

CAS: 5739-10-6
PubChem CID: 430667
DTXSID: DTXSID70972881
EC Number: 815-875-1
Nikkaji: J2.960.241G

物性

構造計算による物性

XLogP: -1
極性表面積: 43.8 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 64.7

物理化学的性質

沸点: 283 ℃ · 283℃
比重(密度): 1.15 · 1.15
闪点: 125 ℃ · 125℃
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 7.51 · 7.51±0.10(Predicted)
InChI: InChI=1S/C5H9N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,1,3,6H2
InChIKey: YCIRHAGYEUJTFH-UHFFFAOYSA-N
SMILES: C1N(CCN)C=CN=1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.