Basic information
- CAS
497249-29-3- Standard SMILES
N=C(N)N1CCCN(c2ccc(N)cc2)CC1- InChIKey
QGDMMTMBPOTKMG-UHFFFAOYSA-N- Molecular formula
- C12H19N5
- Average molar mass
- 233.31 g/mol
- Monoisotopic mass
- 233.16404563
Names & identifiers
- Preferred name
- 4-(4-Aminophenyl)hexahydro-1H-1,4-diazepine-1-carboximidamide
- IUPAC
- 4-(4-aminophenyl)-1,4-diazepane-1-carboximidamide
Names & synonyms
SCHEMBL5202379DTXSID5011800164-(4-Aminophenyl)hexahydro-1H-1,4-diazepine-1-carboximidamide497249-29-34-(4-aminophenyl)-1,4-diazepane-1-carboximidamide
Database identifiers
- CAS
497249-29-3- PubChem CID
- 58905835
- DTXSID
DTXSID501180016
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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