1-プロピル-1H-イミダゾール

n-Propylimidazole

HCID 118785

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 35203-44-2
標準SMILES: CCCn1ccnc1
InChIKey: IYVYLVCVXXCYRI-UHFFFAOYSA-N
分子式: C6H10N2
平均分子量: 110.16 g/mol
単同位体質量: 110.08439832

名称と識別子

優先名称: n-Propylimidazole
IUPAC: 1-propylimidazole
現地名: 1-プロピル-1H-イミダゾール
英語名: 1-Propyl-1H-imidazole
分子式: C6H10N2
分子量: 110.16

名称と別名

1-Propyl-1H-imidazole35203-44-21-propylimidazoleN-Propylimidazole1H-Imidazole, 1-propyl-EINECS 252-431-0PR14NYU5X2DTXSID70188708RefChem:831065DTXCID90111199252-431-01H-Imidazole, propyl-

名称をさらに表示

1-プロピル-1H-イミダゾール1-プロピルイミダゾールSKL1440SKL1560N-Propylimidazol1-Propyl-1H-imidazol1-Propylimidazole>1-propyl-1H-imidazoleClotrimazole Impurity 18

MFCD000604941-Subsituted 1H-imidazole, 1AKOS002677337CS-W016625SY029323P1991EN300-53765QuadraPure(R) BDZ, 400-750 mum, extent of labeling: 1.0-1.4 mmol/g loading, macroporous

データベース識別子

CAS: 35203-44-2
PubChem CID: 118785
DTXSID: DTXSID70188708
ChEMBL: CHEMBL95929
UNII: PR14NYU5X2
EC Number: 252-431-0
Nikkaji: J289.931K

物性

構造計算による物性

XLogP: 0.8
極性表面積: 17.8 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 2
重原子数: 8
形式電荷: 0
複雑度: 63.5

物理化学的性質

沸点: 94 °C/11mmHg · 94°C/11mmHg(lit.)
比重(密度): 0.95 · 0.95±0.1 g/cm3(Predicted)
屈折率: 1.481 · 1.4810-1.4850
闪点: 88 ° · 88°
貯蔵温度: 2 · 2-8°C
外見: clear liquid
酸解離定数(Pka): 7.09 · 7.09±0.10(Predicted)
色: Colorless to Yellow
InChI: InChI=1S/C6H10N2/c1-2-4-8-5-3-7-6-8/h3,5-6H,2,4H2,1H3
InChIKey: IYVYLVCVXXCYRI-UHFFFAOYSA-N
SMILES: C1N(CCC)C=CN=1
CAS データベース: 35203 · 35203-44-2(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

安全データ

hs_code: 2933299090
消防法: 危-4-3-III
hazard_class: IRRITANT

化学と産業

応用分野 · 1 件

使用1-propyl-1H-imidazole (PrIm) could be selected as a ligand for a study on homoleptic Fe(II)-Imidazole complexes, allowing for a comparison between the two systems. Its extreme versatility as a ligand was unveiled as it gave rise to a new family of Fe(II) complexes with mono-, bi- and tetranuclear members[1].