Basic information
- CAS
4838-54-4- Standard SMILES
CCCCN(CCCC)C(=O)c1ccc(N=C(N)[NH2+]C(=N)N)cc1.[Cl-]- InChIKey
MUWYOJDSRSRYRH-UHFFFAOYSA-N- Molecular formula
- C17H29ClN6O
- Average molar mass
- 368.9 g/mol
- Monoisotopic mass
- 368.2091373
Names & identifiers
- Preferred name
- Benzamide, p-(3-amidinoguanidino)-N,N-dibutyl-, monohydrochloride
- IUPAC
- carbamimidoyl-[N'-[4-(dibutylcarbamoyl)phenyl]carbamimidoyl]azanium chloride
Names & synonyms
BENZAMIDE, p-(3-AMIDINOGUANIDINO)-N,N-DIBUTYL-, MONOHYDROCHLORIDEp-(3-Amidinoguanidino)-N,N-dibutylbenzamide monohydrochloride4838-54-4Biguanide, 1-(p-N,N-dibutylcarbamoylphenyl)-, hydrochlorideDTXSID80197503RefChem:322555DTXCID50119994(E)-Amino-N-carbamimidoyl{[4-(dibutylcarbamoyl)phenyl]imino}methanaminium chloride
Database identifiers
- CAS
4838-54-4- PubChem CID
- 20980
- DTXSID
DTXSID80197503
Properties
Computed structural properties
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…