Basic information
- CAS
356093-54-4- Standard SMILES
COc1ccc(CNCc2cc(OC)cc(OC)c2)cc1- InChIKey
PUUIMGFMLAOYFH-UHFFFAOYSA-N- Molecular formula
- C17H21NO3
- Average molar mass
- 287.35 g/mol
- Monoisotopic mass
- 287.15214353
Names & identifiers
- Preferred name
- (3,5-Dimethoxy-benzyl)-(4-methoxy-benzyl)-amine
- IUPAC
- N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
- English name
- (3,5-Dimethoxy-benzyl)-(4-methoxy-benzyl)-amine
- Molecular formula
- C17H21NO3
- Molecular weight
- 287.35
Names & synonyms
356093-54-4(3,5-Dimethoxy-benzyl)-(4-methoxy-benzyl)-amineN-(3,5-Dimethoxybenzyl)-1-(4-methoxyphenyl)methanamineN-[(3,5-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine(3,5-dimethoxybenzyl)(4-methoxybenzyl)amine[(3,5-dimethoxyphenyl)methyl][(4-methoxyphenyl)methyl]amineOprea1_512621Oprea1_663863DTXSID60354511SBB027884AKOS000234130SB82270
Show more names
CHEMBRDG-BB 5569098(3,5-dimethoxybenzyl)(4-methoxybenzyl)amine(SALTDATA: HBr)3,5-Dimethoxy-N-[(4-methoxyphenyl)methyl]benzenemethanamineBenzenemethanamine, 3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-
DB-016376CS-0367745ST50246768AG-690/13701772(3,5-dimethoxyphenyl)-N-(4-methoxybenzyl)methanamine1-(3,5-Dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine
Database identifiers
- CAS
356093-54-4- PubChem CID
- 775262
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
- 267
Physicochemical properties
- Boiling point
- 423.7 · 423.7±40.0 °C(Predicted)
- Density
- 1.089 · 1.089±0.06 g/cm3(Predicted)
- pka
- 8.78 · 8.78±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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