2H-Azepin-7-amine, N-(2,4-difluorophenyl)-3,4,5,6-tetrahydro-
Basic information
- CAS
325720-89-6- Standard SMILES
Fc1ccc(NC2=NCCCCC2)c(F)c1- InChIKey
ISDSSSFNBRDHHB-UHFFFAOYSA-N- Molecular formula
- C12H14F2N2
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.11250478
Names & identifiers
- Preferred name
- 2H-Azepin-7-amine, N-(2,4-difluorophenyl)-3,4,5,6-tetrahydro-
- IUPAC
- N-(2,4-difluorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
Names & synonyms
2H-Azepin-7-amine, N-(2,4-difluorophenyl)-3,4,5,6-tetrahydro-325720-89-6DTXSID50427607N-(2,4-difluorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amineAKOS017268497
Database identifiers
- CAS
325720-89-6- PubChem CID
- 7059367
- DTXSID
DTXSID50427607
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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