3-nitrobenzoic acid dicyclohexylamine salt
Basic information
- CAS
32895-56-0- Standard SMILES
C1CCC(NC2CCCCC2)CC1.O=C(O)c1cccc([N+](=O)[O-])c1- InChIKey
QCYVTEVPCTZMMI-UHFFFAOYSA-N- Molecular formula
- C19H28N2O4
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.20490738
Names & identifiers
- Preferred name
- 3-nitrobenzoic acid dicyclohexylamine salt
- IUPAC
- N-cyclohexylcyclohexanamine;3-nitrobenzoic acid
Names & synonyms
3-Nitrobenzoic acid dicyclohexylamine saltDTXSID2073142RefChem:281335DTXCID7038602Benzoic acid, 3-nitro-, compd. with dicyclohexylamine (1:1) (8CI)32895-56-0SCHEMBL31259923-Nitrobenzoic acid--N-cyclohexylcyclohexanamine (1/1)
Database identifiers
- CAS
32895-56-0- PubChem CID
- 198124
- DTXSID
DTXSID2073142
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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