1-[3-(Methoxymethyl)phenyl]-1,4-diazepane
Basic information
- CAS
1248617-49-3- Standard SMILES
COCc1cccc(N2CCCNCC2)c1- InChIKey
AKAACXIJZBSMBY-UHFFFAOYSA-N- Molecular formula
- C13H20N2O
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.15756327
Names & identifiers
- Preferred name
- 1-[3-(Methoxymethyl)phenyl]-1,4-diazepane
- IUPAC
- 1-[3-(methoxymethyl)phenyl]-1,4-diazepane
Names & synonyms
DTXSID901211732AKOS0108142731-[3-(methoxymethyl)phenyl]-1,4-diazepaneHexahydro-1-[3-(methoxymethyl)phenyl]-1H-1,4-diazepine1248617-49-3
Database identifiers
- CAS
1248617-49-3- PubChem CID
- 61551938
- DTXSID
DTXSID901211732
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 24.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 198
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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