Basic information
- CAS
6955-28-8- Standard SMILES
NN1CCCN(Cc2ccccc2)CC1- InChIKey
GHKWIACKPFWDCZ-UHFFFAOYSA-N- Molecular formula
- C12H19N3
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.15789762
Names & identifiers
- Preferred name
- 4-Benzyl-1,4-diazepan-1-amine
- IUPAC
- 4-benzyl-1,4-diazepan-1-amine
Names & synonyms
4-benzyl-1,4-diazepan-1-amine6955-28-8NSC 21235NSC21235SCHEMBL15329091DTXSID30281305NSC-21235SY520559
Database identifiers
- CAS
6955-28-8- PubChem CID
- 228366
- DTXSID
DTXSID30281305
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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