Basic information
- CAS
50808-02-1- Standard SMILES
NC(=Nc1ccc(N)cc1)[NH+]=C(N)N.[Cl-]- InChIKey
DMTQTDAVJATTTB-UHFFFAOYSA-N- Molecular formula
- C8H13ClN6
- Average molar mass
- 228.68 g/mol
- Monoisotopic mass
- 228.0890221
Names & identifiers
- Preferred name
- Biguanide, 1-p-aminophenyl-, hydrochloride
- IUPAC
- [N'-(4-aminophenyl)carbamimidoyl]-(diaminomethylidene)azanium chloride
Names & synonyms
BIGUANIDE, 1-p-AMINOPHENYL-, HYDROCHLORIDE1-p-Aminophenylbiguanide hydrochlorideUSAF A-659950808-02-1DTXSID20198837Imidodicarbonimidic diamide, N-(4-aminophenyl)-, monohydrochlorideRefChem:329461DTXCID80121328Diamino-N-[N'-(4-aminophenyl)carbamimidoyl]methaniminium chloride[N'-(4-aminophenyl)carbamimidoyl]-(diaminomethylidene)azanium;chloride
Database identifiers
- CAS
50808-02-1- PubChem CID
- 39796
- DTXSID
DTXSID20198837
Properties
Computed structural properties
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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