Basic information
- CAS
436086-80-5- Standard SMILES
COc1ccc(CNCc2ccccc2)c(OC)c1OC- InChIKey
NJYGEYFQNOYZCB-UHFFFAOYSA-N- Molecular formula
- C17H21NO3
- Average molar mass
- 287.35 g/mol
- Monoisotopic mass
- 287.15214353
Names & identifiers
- Preferred name
- Benzyl-(2,3,4-trimethoxy-benzyl)-amine
- IUPAC
- 1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
- English name
- Benzyl-(2,3,4-trimethoxy-benzyl)-amine
- Molecular formula
- C17H21NO3
- Molecular weight
- 287.35
Names & synonyms
436086-80-5Benzyl-(2,3,4-trimethoxy-benzyl)-amineN-Benzyl-1-(2,3,4-trimethoxyphenyl)methanamine1-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]methanamineBenzenemethanamine,2,3,4-trimethoxy-N-(phenylmethyl)-benzyl[(2,3,4-trimethoxyphenyl)methyl]amineDTXSID10354344AKOS000225833SB82251ST064924N-benzyl-N-(2,3,4-trimethoxybenzyl)amineCS-0368100
Show more names
Benzenemethanamine, 2,3,4-trimethoxy-N-(phenylmethyl)-
AQ-360/42535722SR-01000370503SR-01000370503-1
Database identifiers
- CAS
436086-80-5- PubChem CID
- 769799
- DTXSID
DTXSID10354344
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 281
Physicochemical properties
- Boiling point
- 391.5 · 391.5±37.0 °C(Predicted)
- Density
- 1.089 · 1.089±0.06 g/cm3(Predicted)
- pka
- 7.91 · 7.91±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
Suppliers5 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ASINEX-REAG[email protected]
MATRIX[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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