Basic information
- CAS
34144-50-8- Standard SMILES
O=C([O-])C(=O)[O-].[NH3+]C1c2ccccc2CCc2[nH+]cccc21- InChIKey
RKFLVTIYRMYJRK-UHFFFAOYSA-N- Molecular formula
- C16H16N2O4
- Average molar mass
- 300.31 g/mol
- Monoisotopic mass
- 300.111007
Names & identifiers
- Preferred name
- 5H-Benzo(4,5)cyclohepta(1,2-b)pyridine, 10,11-dihydro-5-amino-, oxalate (1:1)
- IUPAC
- 7-azoniatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylazanium;oxalate
Names & synonyms
10,11-Dihydro-5-amino-5H-benzo(4,5)cyclohepta(1,2-b)pyridine oxalate5-Amino-10,11-dihydro-5H-benzo(4,5)cyclohepta(1,2-b)pyridine hydrogen oxalate5H-BENZO(4,5)CYCLOHEPTA(1,2-b)PYRIDINE, 10,11-DIHYDRO-5-AMINO-, OXALATE (1:1)34144-50-8RefChem:305294
Database identifiers
- CAS
34144-50-8- PubChem CID
- 36697
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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