4-Methylbenzene-1-carboximidamide hydrochloride

HCID 122753CAS 6326-27-8

基本情報

標準SMILES: Cc1ccc(C(=N)N)cc1.Cl
InChIKey: MTDUPZAXNYELOU-UHFFFAOYSA-N
分子式: C8H11ClN2
平均分子量: 170.64 g/mol
単同位体質量: 170.06107603

名称と識別子

優先名称: 4-Methylbenzene-1-carboximidamide hydrochloride
IUPAC: 4-methylbenzenecarboximidamide;hydrochloride

名称と別名

4-Methylbenzene-1-carboximidamide hydrochlorideRefChem:525533672-862-16326-27-84-Methylbenzamidine hydrochloride4-methylbenzimidamide hydrochloride4-Toluamidine hydrochlorideBenzenecarboximidamide, 4-methyl-, monohydrochloride4-Methyl-benzamidine hydrochlorideMFCD000401834-methylbenzenecarboximidamide hydrochloride4-methylbenzamidine HCl

名称をさらに表示

NSC 30577p-Toluamidine, monohydrochlorideNSC-305773AD6HT2FNABenzenecarboximidamide, 4-methyl-, hydrochloride (1:1)4-methylbenzenecarboximidamide;hydrochloridep-methylbenzamidine hydrochlorideDTXSID80212644

データベース識別子

CAS: 6326-27-8
PubChem CID: 122753
DTXSID: DTXSID80212644
UNII: 3AD6HT2FNA
EC Number: 672-862-1

物性

構造計算による物性

極性表面積: 49.9 Å²
水素結合供与体数: 3
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 11
形式電荷: 0
複雑度: 123

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.