Azepane-2-carboxamide
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Basic information
- CAS
757967-90-1- Standard SMILES
NC(=O)C1CCCCCN1- InChIKey
IAVUPBUMOXMJKJ-UHFFFAOYSA-N- Molecular formula
- C7H14N2O
- Average molar mass
- 142.2 g/mol
Names & identifiers
- Preferred name
- Azepane-2-carboxamide
- IUPAC
- azepane-2-carboxamide
- English name
- 1H-Azepine-2-carboxamide,hexahydro-(9CI)
- Molecular formula
- C7H14N2O
- Molecular weight
- 142.2
Names & synonyms
Azepane-2-carboxamide757967-90-1SCHEMBL1058819SCHEMBL1173641SCHEMBL9020413AKOS013888145EN300-2971074Azepane-2-carboxylic acid amide1H-Azepine-2-carboxamide, hexahydro-1H-Azepine-2-carboxamide,hexahydro-(9CI)
Database identifiers
- CAS
757967-90-1
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 322.8 · 322.8±31.0 °C(Predicted)
- Density
- 1.025 · 1.025±0.06 g/cm3(Predicted)
- pka
- 16.77 · 16.77±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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