N,N-bis(3,4-dimethoxyphenethyl)-N-methylamine
Basic information
- CAS
33978-72-2- Standard SMILES
COc1ccc(CCN(C)CCc2ccc(OC)c(OC)c2)cc1OC- InChIKey
OXZMQFKVNVQMLI-UHFFFAOYSA-N- Molecular formula
- C21H29NO4
- Average molar mass
- 359.5 g/mol
- Monoisotopic mass
- 359.20965841
Overview
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine is a dimethoxybenzene.
Names & identifiers
- Preferred name
- N,N-bis(3,4-dimethoxyphenethyl)-N-methylamine
- IUPAC
- 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine
- English name
- YS-035 HCL
- Molecular formula
- C21H29NO4
- Molecular weight
- 359.46
Names & synonyms
YS-03533978-72-2N,N-Bis(3,4-dimethoxyphenethyl)-N-methylamineRefChem:1611012-(3,4-dimethoxyphenyl)-n-[2-(3,4-dimethoxyphenyl)ethyl]-n-methylethanamineDTXSID50955556Tocris-0416Dobutamine Impurity 65Lopac-Y-101CBiol_001924Lopac0_001220BSPBio_001517
Show more names
YS-035 HCLDobutamine hydrochloride impurity 6YS-035 HYDROCHLORIDE VERAPAMIL DERIVATIV EN-(3,4-dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)-N-methylethanaminen-(3,4-Dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)-n-methylethan-1-aminen-(-2-[3,4-dimethoxyphenyl]ethyl)-3,4-dimethoxy-n-methylbenzeneethanamineBenzeneethanamine, N-(2-(3,4-dimethoxyphenyl)ethyl)-3,4-dimethoxy-N-methyl-
KBioGR_000237KBioSS_000237SCHEMBL7430428CHEMBL1329438CHEBI:92116KBio2_000237KBio2_002805KBio2_005373
Database identifiers
- CAS
33978-72-2- PubChem CID
- 5714
- DTXSID
DTXSID50955556- ChEMBL
CHEMBL1329438- ChEBI
CHEBI:92116- Nikkaji
- J442.608H
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 347
Physicochemical properties
- Boiling point
- 475.2 · 475.2±45.0 °C(Predicted)
- Density
- 1.07 · 1.070±0.06 g/cm3(Predicted)
- storage temp.
- Desiccate at RT
- pka
- 8.87 · 8.87±0.50(Predicted)
- WGK Germany
- 3 · 3
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
- wgk
- 3
Chemistry & industry
Additional notes
DefinitionChEBI: 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylethanamine is a dimethoxybenzene.
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Compound notes
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