Basic information
- CAS
4751-85-3- Standard SMILES
CCN(CC)C(=O)c1ccc(N=C(N)[NH2+]C(=N)N)cc1.[Cl-]- InChIKey
DJJWHFXPPUBIKS-UHFFFAOYSA-N- Molecular formula
- C13H21ClN6O
- Average molar mass
- 312.8 g/mol
- Monoisotopic mass
- 312.146537
Names & identifiers
- Preferred name
- Benzamide, p-(3-amidinoguanidino)-N,N-diethyl-, monohydrochloride
- IUPAC
- carbamimidoyl-[N'-[4-(diethylcarbamoyl)phenyl]carbamimidoyl]azanium chloride
Names & synonyms
BENZAMIDE, p-(3-AMIDINOGUANIDINO)-N,N-DIETHYL-, MONOHYDROCHLORIDEp-(3-Amidinoguanidino)-N,N-diethylbenzamide monohydrochloride4751-85-3DTXSID50197176RefChem:322556DTXCID60119667(E)-Amino-N-carbamimidoyl{[4-(diethylcarbamoyl)phenyl]imino}methanaminium chloride
Database identifiers
- CAS
4751-85-3- PubChem CID
- 20875
- DTXSID
DTXSID50197176
Properties
Computed structural properties
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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