CAS 1042449-40-0 4-(3-aminopropyl)-2,3-dihydro-1H-imidazole-2-thione hydrochloride (HCID 86621794)

基本情報

CAS: 1042449-40-0
標準SMILES: Cl.NCCCc1c[nH]c(=S)[nH]1
InChIKey: XRXQLPVPHZHPKL-UHFFFAOYSA-N
分子式: C6H12ClN3S
平均分子量: 193.7 g/mol

名称と識別子

優先名称: 4-(3-aminopropyl)-2,3-dihydro-1H-imidazole-2-thione hydrochloride
IUPAC: 4-(3-aminopropyl)-1,3-dihydroimidazole-2-thione;hydrochloride

名称と別名

1042449-40-04-(3-aminopropyl)-2,3-dihydro-1H-imidazole-2-thione hydrochlorideSCHEMBL1518509SCHEMBL2919699XRXQLPVPHZHPKL-UHFFFAOYSA-NEN300-77158394-(3-amino-propyl)-1,3-dihydro-imidazole-2-thione hydrochloride4-(3-aminopropyl)-2,3-dihydro-1H-imidazole-2-thionehydrochloride

データベース識別子

CAS: 1042449-40-0
PubChem CID: 86621794
EC Number: 885-025-2

物性

構造計算による物性

極性表面積: 82.2 Å²
水素結合供与体数: 4
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 11
形式電荷: 0
複雑度: 164

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.