Basic information
- CAS
1360439-33-3- Standard SMILES
O=C(OCc1ccccc1)N1CCCC(=NO)CC1- InChIKey
KDZQESRASWATAR-UHFFFAOYSA-N- Molecular formula
- C14H18N2O3
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.13174244
Names & identifiers
- Preferred name
- Benzyl 4-(hydroxyimino)azepane-1-carboxylate
- IUPAC
- benzyl 4-hydroxyiminoazepane-1-carboxylate
- English name
- N-Z-1H-AZEPIN-4-ONE OXIME
- Molecular formula
- C14H18N2O3
- Molecular weight
- 262.3
Names & synonyms
Benzyl 4-(hydroxyimino)azepane-1-carboxylate1360439-33-3N-Z-1H-AZEPIN-4-ONE OXIMEN-Cbz-hexahydro-1h-azepin-4-one oxime1H-Azepine-1-carboxylic acid, hexahydro-4-(hydroxyimino)-, phenylmethyl ester
Database identifiers
- CAS
1360439-33-3- PubChem CID
- 73424742
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Boiling point
- 438.5 · 438.5±45.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 12.25 · 12.25±0.20(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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