3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone
Basic information
- CAS
3670-65-3- Standard SMILES
O=C(CCN1CCCCCC1)c1cccc([N+](=O)[O-])c1- InChIKey
QNMJTXJJZVGMLU-UHFFFAOYSA-N- Molecular formula
- C15H20N2O3
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.1473925
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 3-(Hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-1-propanone
- IUPAC
- 3-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-one
Names & synonyms
PhenitroneRJU265BEY43670-65-31-Propanone, 3-(hexahydro-1H-azepin-1-yl)-1-(3-nitrophenyl)-3-(Hexahydro-lH-azepin-lyl)-3'nitropropiophenone hydrochlorideDTXSID201901543-(HEXAHYDRO-1H-AZEPIN-1-YL)-1-(3-NITROPHENYL)-1-PROPANONERefChem:911073DTXCID30112645UNII-RJU265BEY43-(azepan-1-yl)-1-(3-nitrophenyl)propan-1-onePHENITRONE FREE BASE
Show more names
SCHEMBL8067932QNMJTXJJZVGMLU-UHFFFAOYSA-N3-(Hexahydro-1-azepinyl)-3'-nitropropiophenone3-(1-Azepanyl)-1-(3-nitrophenyl)-1-propanone #3-(hexahydro-1h-azepin-1-yl)-3'-nitropro-piophenone3-(HEXAHYDRO-1H-AZEPIN-1-YL)-3'-NITROPROPIOPHENONEPROPIOPHENONE, 3-(HEXAHYDRO-1H-AZEPIN-1-YL)-3'-NITRO-
Database identifiers
- CAS
3670-65-3- PubChem CID
- 197918
- DTXSID
DTXSID20190154- UNII
- RJU265BEY4
- Nikkaji
- J232.230G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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