(3,4-Dimethoxybenzyl)pyridin-4-ylmethylamine
Basic information
- CAS
57342-20-8- Standard SMILES
COc1ccc(CNCc2ccncc2)cc1OC- InChIKey
LVPMLJSXCNQANT-UHFFFAOYSA-N- Molecular formula
- C15H18N2O2
- Average molar mass
- 258.32 g/mol
- Monoisotopic mass
- 258.13682782
Names & identifiers
- Preferred name
- (3,4-Dimethoxybenzyl)pyridin-4-ylmethylamine
- IUPAC
- N-[(3,4-dimethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
- English name
- (3,4-Dimethoxy-benzyl)-pyridin-4-ylmethyl-amine
- Molecular formula
- C15H18N2O2
- Molecular weight
- 258.32
Names & synonyms
57342-20-8(3,4-dimethoxybenzyl)pyridin-4-ylmethylamine(3,4-Dimethoxy-benzyl)-pyridin-4-ylmethyl-amineN-(3,4-Dimethoxybenzyl)-1-(pyridin-4-yl)methanamine[(3,4-dimethoxyphenyl)methyl][(pyridin-4-yl)methyl]amineN-[(3,4-dimethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)methanamineN-[(3,4-Dimethoxyphenyl)methyl]-1-(4-pyridyl)methanamine1-(3,4-Dimethoxyphenyl)-N-[(pyridin-4-yl)methyl]methanamineCBMicro_024528Oprea1_006998Oprea1_218443
Show more names
N-(3,4-DIMETHOXYBENZYL)-N-(PYRIDIN-4-YLMETHYL)AMINEN-[(3,4-Dimethoxyphenyl)methyl]-4-pyridinemethanamine(3,4-dimethoxyphenyl)-N-(4-pyridinylmethyl)methanamine4-Pyridinemethanamine, N-[(3,4-dimethoxyphenyl)methyl]-(3,4-DIMETHOXY-BENZYL)-PYRIDIN-4-YLMETHYL-AMINE ISO 9001：2015 REACH
CHEMBL1619421DTXSID701212172HMS5167J17BBL000263CCG-11745MFCD01135985STK510698AKOS000284957
Database identifiers
- CAS
57342-20-8- PubChem CID
- 791709
- DTXSID
DTXSID701212172- ChEMBL
CHEMBL1619421
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Boiling point
- 395.1 · 395.1±37.0 °C(Predicted)
- Density
- 1.108 · 1.108±0.06 g/cm3(Predicted)
- pka
- 6.82 · 6.82±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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