CAS 2258-21-1 3-(2-methyl-1H-imidazol-1-yl)propan-1-amine (HCID 3152105)

基本情報

CAS: 2258-21-1
標準SMILES: Cc1nccn1CCCN
InChIKey: NDUDHWBKFFJGMA-UHFFFAOYSA-N
分子式: C7H13N3
平均分子量: 139.2 g/mol
単同位体質量: 139.11094742

名称と識別子

優先名称: 3-(2-methyl-1H-imidazol-1-yl)propan-1-amine
IUPAC: 3-(2-methylimidazol-1-yl)propan-1-amine
現地名: 2-メチル-１Hイミダゾル-1-プロパンアミン
英語名: 3-(2-Methyl-1H-imidazol-1-yl)propylamine
分子式: C7H13N3
分子量: 139.2

名称と別名

2258-21-13-(2-methyl-1H-imidazol-1-yl)propan-1-amine2-Methyl-1H-imidazole-1-propanamineDTXSID20389980RefChem:491172DTXCID90340841607-116-63-(2-methylimidazol-1-yl)propan-1-amineMFCD002724621-(3-Aminopropyl)-2-methyl-1H-imidazole3-(2-methylimidazolyl)propylamine1H-Imidazole-1-propanamine,2-methyl-

名称をさらに表示

2-メチル-１Hイミダゾル-1-プロパンアミン3-(2-メチル-1H-イミダゾール-1-イル)プロピルアミン3-(2-メチル-1H-イミダゾール-1-イル)プロパン-1-アミン1-(3-アミノプロピル)-2-メチル-1H-イミダゾールRARECHEM AL BW 1148CHEMBRDG-BB 4005658TIMTEC-BB SBB0024212-methyl-1H-imidazole-1-propylamine3-(2-METHYL-IMIDAZOL-1-YL)-PROPYLAMINE3-(2-Methyl-1H-imidazol-1-yl)propylamine2-Methyl-1H-imidazole-1-propanamine, GC 97%

3-(2-Methylimidazol-1-yl)propylamineSCHEMBL137042SCHEMBL9596570HMS1697K06SBB002421STK6811111-(3-aminopropyl)-2-methylimidazoleAKOS000144854

データベース識別子

CAS: 2258-21-1
PubChem CID: 3152105
DTXSID: DTXSID20389980
EC Number: 607-116-6

物性

構造計算による物性

XLogP: -0.2
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: 3
重原子数: 10
形式電荷: 0
複雑度: 94.9

物理化学的性質

沸点: 110 · 110-112 °C(Press: 2-3 Torr)
比重(密度): 1.028 g/mL · 1.028 g/mL at 25 °C
屈折率: 20 · n20/D1.517
闪点: 110 ℃ · >110℃
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: liquid
酸解離定数(Pka): 10.04 · 10.04±0.10(Predicted)
InChI: 1S/C7H13N3/c1-7-9-4-6-10(7)5-2-3-8/h4,6H,2-3,5,8H2,1H3
InChIKey: NDUDHWBKFFJGMA-UHFFFAOYSA-N
SMILES: Cc1nccn1CCCN
CAS データベース: 2258 · 2258-21-1(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (98.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.