Basic information
- CAS
21312-48-1- Standard SMILES
CCCCN1CCN(C(=O)c2ccc(N)cc2)CC1.Cl.Cl- InChIKey
HMPJILGJYHWPDK-UHFFFAOYSA-N- Molecular formula
- C15H25Cl2N3O
- Average molar mass
- 334.3 g/mol
- Monoisotopic mass
- 333.1374678
Names & identifiers
- Preferred name
- Piperazine, 1-(p-aminobenzoyl)-4-butyl-, dihydrochloride, hydrate
- IUPAC
- (4-aminophenyl)-(4-butylpiperazin-1-yl)methanone;dihydrochloride
Names & synonyms
21312-48-1Piperazine, 1-(p-aminobenzoyl)-4-butyl-, dihydrochloride, hydrate1-(p-Aminobenzoyl)-4-butylpiperazine dihydrochloride hydrateDTXSID40175584RefChem:372518DTXCID8098075(4-Aminophenyl)(4-butylpiperazin-1-yl)methanone--hydrogen chloride (1/2)
Database identifiers
- CAS
21312-48-1- PubChem CID
- 210583
- DTXSID
DTXSID40175584
Properties
Computed structural properties
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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