ニコチンアミジン塩酸塩

Nicotinamidine hydrochloride

HCID 202042CAS 63265-42-9

部分構造検索類似構造を探す

基本情報

標準SMILES: Cl.N=C(N)c1cccnc1
InChIKey: MKJPBOVLAZADQJ-UHFFFAOYSA-N
分子式: C6H8ClN3
平均分子量: 157.6 g/mol
単同位体質量: 157.04067494

名称と識別子

優先名称: Nicotinamidine hydrochloride
IUPAC: pyridine-3-carboximidamide;hydrochloride
現地名: ニコチンアミジン塩酸塩
英語名: nicotinamidine hydrochloride
分子式: C6H8ClN3
分子量: 157.6

名称と別名

Nicotinamidine hydrochloride63265-42-9Pyridine-3-carboximidamide MonohydrochlorideRefChem:854109615-990-5692-380-57356-60-7Nicotinimidamide hydrochloride3-Amidinopyridine hydrochloridepyridine-3-carboximidamide hydrochloride3-AMIDINOPYRIDINIUM CHLORIDENicotinamidine, hydrochloride

名称をさらに表示

ニコチンアミジン塩酸塩nicotinamidine,hydrochlorideNicotinimidamide dihydrochloride

3-Pyridinecarboximidamide, monohydrochlorideMFCD000543263-Pyridinecarboxamidine hydrochloridepyridine-3-carboximidamide;hydrochlorideNicotinimidamide xhydrochlorideNSC-64953pyridine-3-carboxamidine hydrochloride477903-33-6

データベース識別子

CAS: 63265-42-9、7356-60-7
PubChem CID: 202042
DTXSID: DTXSID901380347
UNII: A3EZ6T4MZE
EC Number: 615-990-5、692-380-5

物性

構造計算による物性

極性表面積: 62.8 Å²
水素結合供与体数: 3
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 111

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H302 (16.7%): 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]