1,4-Dimethylpiperazine-2,3-dione

HCID 322983

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 59417-06-0
Standard SMILES: CN1CCN(C)C(=O)C1=O
InChIKey: WWBHDWHAIVWDMT-UHFFFAOYSA-N
Molecular formula: C6H10N2O2
Average molar mass: 142.16 g/mol
Monoisotopic mass: 142.07422757

Names & identifiers

Preferred name: 1,4-Dimethylpiperazine-2,3-dione
IUPAC: 1,4-dimethylpiperazine-2,3-dione
English name: SALOR-INT L169811-1EA
Molecular formula: C6H10N2O2
Molecular weight: 142.16

Names & synonyms

1,4-dimethylpiperazine-2,3-dioneDTXSID90314244RefChem:1053304DTXCID9026536859417-06-0MFCD039319371,4-Dimethyl-2,3-piperazinedioneSALOR-INT L169811-1EA2,3-Piperazinedione, 1,4-dimethyl-NSC281685DimethyldiketopiperazinSCHEMBL717518

Show more names

WWBHDWHAIVWDMT-UHFFFAOYSA-N1,4-dimethyl-piperazine-2,3-dioneAKOS006276164NSC-281685SY334778WS-02364DB-009143E72131

Database identifiers

CAS: 59417-06-0
PubChem CID: 322983
DTXSID: DTXSID90314244
EC Number: 103-558-4
Nikkaji: J1.385.570F

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 40.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 159

Physicochemical properties

Melting point: 176 · 176-179 °C
Boiling point: 206.5 · 206.5±23.0 °C(Predicted)
Density: 1.169 · 1.169±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -1.19 · -1.19±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, 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.