3-Amino-1-chloro-3-methylpentan-2-one hydrochloride

HCID 18372002CAS 201932-98-1

基本情報

標準SMILES: CCC(C)(N)C(=O)CCl.Cl
InChIKey: OQKRSKBMZCPFKQ-UHFFFAOYSA-N
分子式: C6H13Cl2NO
平均分子量: 186.08 g/mol
単同位体質量: 185.0374194

名称と識別子

優先名称: 3-Amino-1-chloro-3-methylpentan-2-one hydrochloride
IUPAC: 3-amino-1-chloro-3-methylpentan-2-one;hydrochloride

名称と別名

3-amino-1-chloro-3-methylpentan-2-one hydrochloride201932-98-1RefChem:496794818-781-93-amino-1-chloro-3-methylpentan-2-one;hydrochloride3-amino-1-chloro-3-methyl-2-pentanone hydrochlorideSCHEMBL7021214OQKRSKBMZCPFKQ-UHFFFAOYSA-NBIA93298EN300-3060433-amino-1-chloro-3-methylpentan-2-onehydrochloride

データベース識別子

CAS: 201932-98-1
PubChem CID: 18372002
EC Number: 818-781-9

物性

構造計算による物性

極性表面積: 43.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 10
形式電荷: 0
複雑度: 116

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.