Basic information
- CAS
59507-50-5- Standard SMILES
O=[N+]([O-])c1cccc(CNC2CCCCC2)c1- InChIKey
ATQVNKQVUGCPIF-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.13682782
Names & identifiers
- Preferred name
- N-(3-nitrobenzyl)cyclohexanamine
- IUPAC
- N-[(3-nitrophenyl)methyl]cyclohexanamine
- English name
- N-(3-nitrobenzyl)cyclohexanamine
- Molecular formula
- C13H18N2O2
- Molecular weight
- 234.29
Names & synonyms
N-(3-nitrobenzyl)cyclohexanamine59507-50-5N-[(3-nitrophenyl)methyl]cyclohexanamineCBMicro_024085MixCom6_001109Oprea1_178623Oprea1_730791DTXSID20355125CCG-11347STK145813AKOS000253296cyclohexyl[(3-nitrophenyl)methyl]amine
Show more names
UKRORGSYN-BB BBV-143969Benzenemethanamine, N-cyclohexyl-3-nitro-N-(3-nitrobenzyl)cyclohexanamine(SALTDATA: HBr)
BIM-0024053.P001DB-320351ST45111694AG-690/11822707N-[(3-nitrophenyl)methyl]cyclohexanamine--oxalic acid (1/1)
Database identifiers
- CAS
59507-50-5- PubChem CID
- 791978
- DTXSID
DTXSID20355125- Nikkaji
- J933.056I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
Chemistry & industry
Suppliers2 total
CHEMBRDG-BB[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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