Basic information
- CAS
56217-89-1- Standard SMILES
CN1CCN(CC(=O)NN=Cc2ccc([N+](=O)[O-])o2)CC1.Cl- InChIKey
ABYNNLAVLMJPST-UHFFFAOYSA-N- Molecular formula
- C12H18ClN5O4
- Average molar mass
- 331.75 g/mol
- Monoisotopic mass
- 331.1047318
Names & identifiers
- Preferred name
- 1-Piperazineacetic acid, 4-methyl-, 2-[(5-nitro-2-furanyl)methylene]hydrazide, hydrochloride (1:1)
- IUPAC
- 2-(4-methylpiperazin-1-yl)-N-[(5-nitrofuran-2-yl)methylideneamino]acetamide;hydrochloride
Names & synonyms
1-Piperazineacetic acid, 4-methyl-, 2-[(5-nitro-2-furanyl)methylene]hydrazide, hydrochloride (1:1)
Database identifiers
- CAS
56217-89-1- PubChem CID
- 3043821
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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