(1R)-1-(3,4-dimethoxyphenyl)ethan-1-amine
Basic information
- CAS
100570-24-9- Standard SMILES
COc1ccc([C@@H](C)N)cc1OC- InChIKey
OEPFPKVWOOSTBV-SSDOTTSWSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Names & identifiers
- Preferred name
- (1R)-1-(3,4-dimethoxyphenyl)ethan-1-amine
- IUPAC
- (1R)-1-(3,4-dimethoxyphenyl)ethanamine
- English name
- (R)-1-(3,4-Dimethoxyphenyl)ethylamine
- Molecular formula
- C10H15NO2
- Molecular weight
- 181.23
Names & synonyms
100570-24-9(1R)-1-(3,4-dimethoxyphenyl)ethan-1-amineRefChem:392879663-068-6(R)-1-(3,4-dimethoxyphenyl)ethanamine(R)-1-(3,4-DIMETHOXYPHENYL)ETHYLAMINE(1R)-1-(3,4-dimethoxyphenyl)ethanamineMFCD06761897(R)-1-(3,4-dimethoxyphenyl)ethan-1-amineBenzenemethanamine, 3,4-dimethoxy-alpha-methyl-, (alphaR)-(R)-3,4-Dimethoxy-alpha-methylbenzylamine4-diMethoxy-a-Methyl-
Show more names
(R)-3,4-Dimethoxy-α-methylbenzylamine(R)-1-(3,4-Dimethoxyphenyl)ethanamine, 95+%Benzenemethanamine, 3,4-dimethoxy-α-methyl-, (αR)-(R)-3,4-Dimethoxy-α-methylbenzylamine, 95%, ee: 97%(R)-1-(3,4-Dimethoxyphenyl)ethylamine, ChiPros 98%, ee 98+%Benzenemethanamine, 3,4-dimethoxy-.alpha.-methyl-, (.alpha.R)-
SCHEMBL3976767r, 98%, ee 98+%AKOS017343661DS-12106SY026586CS-0000276EN300-87775(R)-1-(3,4-Dimethoxyphenyl)ethylamine, 95%
Database identifiers
- CAS
100570-24-9- PubChem CID
- 793783
- EC Number
- 663-068-6
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 °C/1mm · 120°C/1mm
- Density
- 1.037 · 1.037±0.06 g/cm3(Predicted)
- Flash point
- 120 °C/1mm · 120°C/1mm
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 9.18 · 9.18±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- optical activity
- Consistent with structure
- Sensitive
- Air Sensitive
- BRN
- 8616003 · 8616003
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H413
- Precautionary statements
- 280 · P280-P305+P351+P338-P280a-P301+P312a-P310a-P321-P501a
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-38-41
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- ridadr
- UN2735
- hs_code
- 29222990
- risk_code
- 22-38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-37/39
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H302-H315-H318-H413
- Precautionary statements
- P280-P305+P351+P338-P280a-P301+P312a-P310a-P321-P501a
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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