Basic information
- CAS
36918-77-1- Standard SMILES
O=C(Nc1nccc2c1CCCC2)c1ccc([N+](=O)[O-])cc1- InChIKey
LWHMKTKJVCNHSO-UHFFFAOYSA-N- Molecular formula
- C16H15N3O3
- Average molar mass
- 297.31 g/mol
- Monoisotopic mass
- 297.11134135
Names & identifiers
- Preferred name
- Benzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)-
- IUPAC
- 4-nitro-N-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzamide
- English name
- 4-Nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)benzamide
- Molecular formula
- C16H15N3O3
- Molecular weight
- 297.31
Names & synonyms
36918-77-14-nitro-n-(5,6,7,8-tetrahydroisoquinolin-1-yl)benzamideBenzamide, 4-nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)-BRN 04347794-Nitro-N-(5,6,7,8-tetrahydro-1-isoquinolinyl)benzamideDTXSID10190406
Database identifiers
- CAS
36918-77-1- PubChem CID
- 215979
- DTXSID
DTXSID10190406
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Physicochemical properties
- Boiling point
- 420.8 · 420.8±45.0 °C(Predicted)
- Density
- 1.35 · 1.350±0.06 g/cm3(Predicted)
- pka
- 10.86 · 10.86±0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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