Basic information
- CAS
21868-39-3- Standard SMILES
Cl.N=C(N=C(N)N)N1CCN(c2ccccc2)CC1- InChIKey
BIAXERYGLRMRTD-UHFFFAOYSA-N- Molecular formula
- C12H19ClN6
- Average molar mass
- 282.77 g/mol
- Monoisotopic mass
- 282.1359723
Names & identifiers
- Preferred name
- 1-Piperazinecarboxamidine, N-amidino-4-phenyl-, monohydrochloride
- IUPAC
- N-(diaminomethylidene)-4-phenylpiperazine-1-carboximidamide;hydrochloride
Names & synonyms
21868-39-31-Piperazinecarboxamidine, N-amidino-4-phenyl-, monohydrochlorideRefChem:1056487PPb (N-Phenyl)N-Amidino-4-phenyl-1-piperazinecarboxamidine hydrochlorideDTXSID009444701-Piperazinecarboximidamide, N-(aminoiminomethyl)-4-phenyl-, monohydrochlorideN-Carbamimidoyl-4-phenylpiperazine-1-carboximidamide--hydrogen chloride (1/1)
Database identifiers
- CAS
21868-39-3- PubChem CID
- 210889
- DTXSID
DTXSID00944470
Properties
Computed structural properties
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…