Basic information
- CAS
170701-99-2- Standard SMILES
NC1COCCN(Cc2ccccc2)C1- InChIKey
AAJPISLWSKALAE-UHFFFAOYSA-N- Molecular formula
- C12H18N2O
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.1419132
Names & identifiers
- Preferred name
- 4-Benzyl-1,4-oxazepan-6-amine
- IUPAC
- 4-benzyl-1,4-oxazepan-6-amine
- English name
- 4-benzyl-1,4-oxazepan-6-aMine
- Molecular formula
- C12H18N2O
- Molecular weight
- 206.28
Names & synonyms
4-benzyl-1,4-oxazepan-6-amineHexahydro-4-(phenylmethyl)-1,4-oxazepin-6-amine170701-99-2DTXSID301245341DB-2629241,4-Oxazepin-6-amine, hexahydro-4-(phenylmethyl)-
Database identifiers
- CAS
170701-99-2- PubChem CID
- 10104446
- DTXSID
DTXSID301245341
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 38.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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