2-Methyl-2-(piperazin-1-yl)propanamide

HCID 21748841

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Basic information

CAS: 288379-86-2
Standard SMILES: CC(C)(C(N)=O)N1CCNCC1
InChIKey: UVQCDRALXOGZQF-UHFFFAOYSA-N
Molecular formula: C8H17N3O
Average molar mass: 171.24 g/mol

Names & identifiers

Preferred name: 2-Methyl-2-(piperazin-1-yl)propanamide
IUPAC: 2-methyl-2-piperazin-1-ylpropanamide
English name: 1-Piperazineacetamide,-alpha-,-alpha--dimethyl-(9CI)
Molecular formula: C8H17N3O
Molecular weight: 171.24

Names & synonyms

2-methyl-2-(piperazin-1-yl)propanamide288379-86-2RefChem:475114991-158-82-methyl-2-piperazin-1-ylpropanamideMFCD12817224SCHEMBL127332-piperazin-1-ylisobutyramide1-Piperazineacetamide,-alpha-,-alpha--dimethyl-(9CI)2-piperazin-1-yl-isobutyramideSCHEMBL10884682-(piperazin-1-yl)isobutyramide

Show more names

1-Piperazineacetamide, α,α-dimethyl-

UVQCDRALXOGZQF-UHFFFAOYSA-NNLA37986AKOS0053630792-methyl-2-piperazin-1-yl-propanamideDA-25935EN300-95249F50813F528739

Database identifiers

CAS: 288379-86-2
PubChem CID: 21748841
EC Number: 991-158-8

Properties

Computed structural properties

XLogP: -0.9
Topological polar surface area: 58.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 173

Physicochemical properties

Boiling point: 105 · 105-109 °C(Press: 0.3 Torr)
Density: 1.066 · 1.066±0.06 g/cm3(Predicted)
pka: 16.3 · 16.30±0.50(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.