3,4-Dimethoxy-alpha-methylbenzenemethanamine
Basic information
- CAS
50919-08-9- Standard SMILES
COc1ccc(C(C)N)cc1OC- InChIKey
OEPFPKVWOOSTBV-UHFFFAOYSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Names & identifiers
- Preferred name
- 3,4-Dimethoxy-alpha-methylbenzenemethanamine
- IUPAC
- 1-(3,4-dimethoxyphenyl)ethanamine
- English name
- 1-(3,4-Dimethoxy-phenyl)-ethylamine
- Molecular formula
- C10H15NO2
- Molecular weight
- 181.24
Names & synonyms
50919-08-9RefChem:10657773,4-Dimethoxy-alpha-methylbenzenemethanamine1-(3,4-dimethoxyphenyl)ethanamine1-(3,4-Dimethoxy-phenyl)-ethylamine1-(3,4-dimethoxyphenyl)ethan-1-amineMFCD005619231-(3,4-dimethoxyphenyl)ethylamineTIMTEC-BB SBB0092341-amino-1-(3,4-dimethoxyphenyl)-ethaneBenzenemethanamine, 3,4-dimethoxy-alpha-methyl-, (alphaS)-Oprea1_569772
Show more names
1-(3,4-dimethoxyphenyl)ethanamine 1HCl3,4-Dimethoxy-α-methylbenzenemethanamineBenzenemethanamine, 3,4-dimethoxy-α-methyl-1-(3,4-dimethoxyphenyl)ethanamine(SALTDATA: HCl)
Oprea1_810410SCHEMBL1719900CHEMBL4522762SCHEMBL29975311DTXSID00965201AKOS B006175OEPFPKVWOOSTBV-UHFFFAOYSA-NART-CHEM-BB B006175
Database identifiers
- CAS
50919-08-9- PubChem CID
- 3159243
- DTXSID
DTXSID00965201- ChEMBL
CHEMBL4522762- Nikkaji
- J1.268.288C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Boiling point
- 120 · 120-125 °C(Press: 5 Torr)
- Density
- 1.037 · 1.037±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 9.18 · 9.18±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
8 records
Compound notes
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