N-(2,4,5-trimethoxybenzyl)cyclohexanamine
Basic information
- CAS
356094-13-8- Standard SMILES
COc1cc(OC)c(OC)cc1CNC1CCCCC1- InChIKey
LVQRIVYOTUIEAI-UHFFFAOYSA-N- Molecular formula
- C16H25NO3
- Average molar mass
- 279.37 g/mol
- Monoisotopic mass
- 279.18344366
Names & identifiers
- Preferred name
- N-(2,4,5-trimethoxybenzyl)cyclohexanamine
- IUPAC
- N-[(2,4,5-trimethoxyphenyl)methyl]cyclohexanamine
- English name
- N-(2,4,5-trimethoxybenzyl)cyclohexanamine
- Molecular formula
- C16H25NO3
- Molecular weight
- 279.37
Names & synonyms
N-(2,4,5-trimethoxybenzyl)cyclohexanamine356094-13-8N-[(2,4,5-trimethoxyphenyl)methyl]cyclohexanamineOprea1_353086Oprea1_605379AG-690/13701798DTXSID20354517AKOS000223202DB-265632AB00087883-01Benzenemethanamine, N-cyclohexyl-2,4,5-trimethoxy-N-(2,4,5-trimethoxybenzyl)cyclohexanamine(SALTDATA: HBr)
Database identifiers
- CAS
356094-13-8- PubChem CID
- 775302
- DTXSID
DTXSID20354517
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Boiling point
- 394.8 · 394.8±37.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 9.2 · 9.20±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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