Basic information
- CAS
5338-99-8- Standard SMILES
O=[N+]([O-])c1ccc(CCNC2CCCCC2)cc1- InChIKey
PQZWWEGKFMAJDD-UHFFFAOYSA-N- Molecular formula
- C14H20N2O2
- Average molar mass
- 248.32 g/mol
- Monoisotopic mass
- 248.15247789
Names & identifiers
- Preferred name
- N-[2-(4-nitrophenyl)ethyl]cyclohexanamine
- IUPAC
- N-[2-(4-nitrophenyl)ethyl]cyclohexanamine
Names & synonyms
N-[2-(4-nitrophenyl)ethyl]cyclohexanamine5338-99-8NSC3451CBMicro_023973Cambridge id 5535510MixCom6_000997Oprea1_167105Oprea1_234526DivK1c_005429DTXSID30277667NSC-3451CCG-10355
Show more names
STK145654AKOS000546186CDS1_004389cyclohexyl[2-(4-nitrophenyl)ethyl]amineBIM-0023747.P001ST45112144AK-968/12571161N-[2-(4-nitrophenyl)ethyl]cyclohexanamine--oxalic acid (1/1)
Database identifiers
- CAS
5338-99-8- PubChem CID
- 220548
- DTXSID
DTXSID30277667
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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