Benzyl-(2,3-dimethoxy-benzyl)-amine
Basic information
- CAS
128349-14-4- Standard SMILES
COc1cccc(CNCc2ccccc2)c1OC- InChIKey
OBJCCOMMARAKOI-UHFFFAOYSA-N- Molecular formula
- C16H19NO2
- Average molar mass
- 257.33 g/mol
- Monoisotopic mass
- 257.14157885
Names & identifiers
- Preferred name
- Benzyl-(2,3-dimethoxy-benzyl)-amine
- IUPAC
- N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
- English name
- Benzyl-(2,3-dimethoxy-benzyl)-amine
- Molecular formula
- C16H19NO2
- Molecular weight
- 257.33
Names & synonyms
Benzyl-(2,3-dimethoxy-benzyl)-amine128349-14-4N-Benzyl-1-(2,3-dimethoxyphenyl)methanamineN-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamineSCHEMBL5542221SCHEMBL8879501DTXSID50354343AKOS000226081SB81402[(2,3-dimethoxyphenyl)methyl]benzylamineST064920CS-0334569
Show more names
2,3-Dimethoxy-N-(phenylmethyl)benzenemethanamine
SR-01000370469A1-05492Benzenemethanamine, 2,3-dimethoxy-N-(phenylmethyl)-SR-01000370469-1N-[(2,3-dimethoxyphenyl)methyl]-1-phenyl-methanamine
Database identifiers
- CAS
128349-14-4- PubChem CID
- 769797
- DTXSID
DTXSID50354343
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 362.4 · 362.4±32.0 °C(Predicted)
- Density
- 1.073 · 1.073±0.06 g/cm3(Predicted)
- pka
- 8.28 · 8.28±0.20(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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