2-Methyl-1-(piperazin-1-yl)propan-1-one hydrochloride

HCID 16248995

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Basic information

CAS: 1052542-35-4
Standard SMILES: CC(C)C(=O)N1CCNCC1.Cl
InChIKey: XRNGUCURTKUYOW-UHFFFAOYSA-N
Molecular formula: C8H17ClN2O
Average molar mass: 192.68 g/mol

Names & identifiers

Preferred name: 2-Methyl-1-(piperazin-1-yl)propan-1-one hydrochloride
IUPAC: 2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride

Names & synonyms

2-Methyl-1-(piperazin-1-yl)propan-1-one hydrochloride1052542-35-4RefChem:474875983-002-22-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride1-isobutyrylpiperazine hydrochlorideSCHEMBL2047725XRNGUCURTKUYOW-UHFFFAOYSA-NMFCD07312077AKOS022180408SY139583CS-0440563

Show more names

EN300-10823E79583A1-016562-methyl-1-(1-piperazinyl)-1-propanone hydrochloride2-Methyl-1-(piperazin-1-yl)propan-1-onehydrochloride2-methyl-1-piperazin-1-yl-propan-1-one;hydrochlorideZ90665640

Database identifiers

CAS: 1052542-35-4
PubChem CID: 16248995
EC Number: 983-002-2

Properties

Computed structural propertiesFilling in

Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 139

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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)

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