Basic information
- Standard SMILES
CCCCCCCCCCCCCc1ccc(C(C)N=C2CCCCCN2)cc1.Cl- InChIKey
ROZZXLNYBQKSIW-UHFFFAOYSA-N- Molecular formula
- C27H47ClN2
- Average molar mass
- 435.1 g/mol
- Monoisotopic mass
- 434.3427772
Names & identifiers
- Preferred name
- 2-(alpha-Methyl-p-tridecylbenzylimino)hexahydroazepine hydrochloride
- IUPAC
- N-[1-(4-tridecylphenyl)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
Names & synonyms
CHEMBL3276210SCHEMBL11741516SCHEMBL11745517ROZZXLNYBQKSIW-UHFFFAOYSA-N2-(alpha-methyl-p-tridecylbenzylimino)hexahydroazepine hydrochloride2-(alpha-methyl-rho-tridecylbenzylimino)hexahydroazepine hydrochloride
Database identifiers
- PubChem CID
- 13012133
Properties
Computed structural properties
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 15
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 409
Related reactions
2 records
Compound notes
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