Basic information
- CAS
30198-91-5- Standard SMILES
Nc1ccc(C(=O)NCC[n+]2cc[n+](C3=CC=NCC3)cc2)cc1.O.O- InChIKey
VXGHWPLTHHEGQB-UHFFFAOYSA-O- Molecular formula
- C18H25N5O3+2
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.19573968
Names & identifiers
- Preferred name
- 4-Amino-N-(2-(4-(4-pyridinyl)-1-piperazinyl)ethyl)benzamide dihydrate
- IUPAC
- 4-amino-N-[2-[4-(2,3-dihydropyridin-4-yl)pyrazine-1,4-diium-1-yl]ethyl]benzamide;dihydrate
Names & synonyms
4-Amino-N-(2-(4-(4-pyridinyl)-1-piperazinyl)ethyl)benzamide dihydrate30198-91-5BENZAMIDE, 4-AMINO-N-(2-(4-(4-PYRIDINYL)-1-PIPERAZINYL)ETHYL)-, DIHYDRATE
Database identifiers
- CAS
30198-91-5- PubChem CID
- 34848
Properties
Computed structural properties
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 2
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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