1-Nitroso-3,5-dimethylpiperazine

Substructure search Find similar structures

Basic information

CAS: 67774-31-6
Standard SMILES: CC1CN(N=O)CC(C)N1
InChIKey: LRRXQOLSXNHYGG-UHFFFAOYSA-N
Molecular formula: C6H13N3O
Average molar mass: 143.19 g/mol
Monoisotopic mass: 143.10586205

Overview

RN & N1 from CA Vol 90 Form Index; structure in first source

Names & identifiers

Preferred name: 1-Nitroso-3,5-dimethylpiperazine
IUPAC: 3,5-dimethyl-1-nitrosopiperazine

Names & synonyms

1-Nitroso-3,5-dimethylpiperazine67774-31-6RefChem:766081-NDMPPiperazine, 3,5-dimethyl-1-nitroso-3,5-Dimethyl-1-nitrosopiperazineN-Nitroso-3,5-dimethylpiperazineCCRIS 1372Nitroso-3,5-dimethylpiperazineBRN 05094335-23-03-00333 (Beilstein Handbook Reference)CHEMBL165739

Show more names

DTXSID40875633AKOS006355489

Database identifiers

CAS: 67774-31-6
PubChem CID: 92376
DTXSID: DTXSID40875633
ChEMBL: CHEMBL165739
Nikkaji: J153.492K

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 44.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 118

Experimental & physicochemical properties

LogP0.73

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…