4-Methylpiperazine-1-carbonyl chloride monohydrochloride

HCID 3016934

ノート反応

データを補完しています。通常は 1 分以内に完了します

部分構造検索類似構造を探す

基本情報

CAS: 55112-42-0
標準SMILES: CN1CCN(C(=O)Cl)CC1.Cl
InChIKey: WICNYNXYKZNNSN-UHFFFAOYSA-N
分子式: C6H12Cl2N2O
平均分子量: 199.08 g/mol
単同位体質量: 198.03266836

名称と識別子

優先名称: 4-Methylpiperazine-1-carbonyl chloride monohydrochloride
IUPAC: 4-methylpiperazine-1-carbonyl chloride;hydrochloride

名称と別名

55112-42-04-Methylpiperazine-1-carbonyl chloride monohydrochlorideEINECS 259-482-8DTXSID802036331-Piperazinecarbonyl chloride, 4-methyl-, hydrochloride (1:1)RefChem:525681DTXCID10126124259-482-84-Methyl-1-piperazinecarbonyl chloride hydrochloride4-methylpiperazine-1-carbonyl chloride hydrochlorideMFCD010748754-Methyl-1-piperazinecarbonyl chloride HCl

名称をさらに表示

4-methylpiperazine-1-carbonyl chloride;hydrochloride1-Piperazinecarbonyl chloride, 4-methyl-, monohydrochloride1-chlorocarbonyl-4-methylpiperazine hydrochloride7T2R5ALS8T4-Methyl-1-piperazinecarbonylChlorideHydrochlorideSCHEMBL321914GEO-01914AKOS015897706

データベース識別子

CAS: 55112-42-0
PubChem CID: 3016934
DTXSID: DTXSID80203633
UNII: 7T2R5ALS8T
EC Number: 259-482-8

物性

構造計算による物性補完中

極性表面積: 23.6 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: 0
重原子数: 11
形式電荷: 0
複雑度: 132

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301 (62.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 167 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.