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

HCID 18372002CAS 201932-98-1

Substructure search Find similar structures

Basic information

Standard SMILES: CCC(C)(N)C(=O)CCl.Cl
InChIKey: OQKRSKBMZCPFKQ-UHFFFAOYSA-N
Molecular formula: C6H13Cl2NO
Average molar mass: 186.08 g/mol
Monoisotopic mass: 185.0374194

Names & identifiers

Preferred name: 3-Amino-1-chloro-3-methylpentan-2-one hydrochloride
IUPAC: 3-amino-1-chloro-3-methylpentan-2-one;hydrochloride

Names & synonyms

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

Database identifiers

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

Properties

Computed structural properties

Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 116

Safety & regulation

GHS classification

GHS Classification · 5 items

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.