Basic information
- CAS
34067-47-5- Standard SMILES
C1CCC(NC2CCCCC2)CC1.O=C(O)c1ccccc1[N+](=O)[O-]- InChIKey
LQKGGJLABISPNE-UHFFFAOYSA-N- Molecular formula
- C19H28N2O4
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.20490738
Names & identifiers
- Preferred name
- 2-nitrobenzoic acid dicyclohexylamine salt
- IUPAC
- N-cyclohexylcyclohexanamine;2-nitrobenzoic acid
Names & synonyms
2-Nitrobenzoic acid dicyclohexylamine saltDTXSID2073144RefChem:264324DTXCID7038789Benzoic acid, 2-nitro-, compd. with dicyclohexylamine (1:1) (8CI)34067-47-5SCHEMBL68601172-Nitrobenzoic acid--N-cyclohexylcyclohexanamine (1/1)
Database identifiers
- CAS
34067-47-5- PubChem CID
- 198136
- DTXSID
DTXSID2073144
Properties
Computed structural properties
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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