2,5-Dimethoxyphenethylamine
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Basic information
- CAS
3600-86-0- Standard SMILES
COc1ccc(OC)c(CCN)c1- InChIKey
WNCUVUUEJZEATP-UHFFFAOYSA-N- Molecular formula
- C10H15NO2
- Average molar mass
- 181.23 g/mol
- Monoisotopic mass
- 181.11027872
Overview
2-(2,5-dimethoxyphenyl)ethanamine is a dimethoxybenzene.
Names & identifiers
- Preferred name
- 2,5-Dimethoxyphenethylamine
- IUPAC
- 2-(2,5-dimethoxyphenyl)ethanamine
- English name
- 2,5-Dimethoxyphenethylamine
- Molecular formula
- C10H15NO2
- Molecular weight
- 181.23
Names & synonyms
2,5-Dimethoxyphenethylamine3600-86-0UNII-9A8XF4GA0XDTXSID80189564NSC 168525RefChem:82916DTXCID40112055625-021-8WNCUVUUEJZEATP-UHFFFAOYSA-N2-(2,5-Dimethoxyphenyl)ethanamine2-(2,5-Dimethoxy-phenyl)-ethylamine2-(2,5-Dimethoxyphenyl)Ethan-1-Amine
Show more names
RARECHEM AL BW 03572,5-Dimethoxypheneth5-DiMethoxyphenethylaMine2,5-Dimethoxyphenylethylamine2,5-Dimethoxyphenethylamine,97%2,5-Dimethoxyphenethylamine ,98%2,5-DIMETHOXYPHENETHYLAMIN 98.0%
2C-H2,5-Dimethoxyphenethylamine-d62-(2,5-Dimethoxyphenyl)Ethylamine9A8XF4GA0XCHEMBL287047NSC-168525benzeneethanamine, 2,5-dimethoxy-SCHEMBL479514
Database identifiers
- CAS
3600-86-0- PubChem CID
- 76632
- DTXSID
DTXSID80189564- ChEMBL
CHEMBL287047- ChEBI
CHEBI:125507- UNII
- 9A8XF4GA0X
- EC Number
- 625-021-8
- Nikkaji
- J387.184C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Phenethylamines (2C Series) (H)
DEA Schedule I Controlled Substance -> Hallucinogenic substances
Collision Cross Section144.8 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated]
Physicochemical properties
- Boiling point
- 160 °C10 · 160 °C10 mm Hg(lit.)
- Density
- 1.089 g/mL · 1.089 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.5424(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Refrigerator, Under Inert Atmosphere
- pka
- 9.72 · 9.72±0.10(Predicted)
- LogP
- 1.4 · 1.400 (est)
- CAS DataBase Reference
- 3600 · 3600-86-0(CAS DataBase Reference)
- FDA UNII
- 9 A8XF4GA0X · 9A8XF4GA0X
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
H314 (97.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationDEA schedule I controlled substance
Hazard Classes and CategoriesSkin Corr. 1B (97.6%)
Safety data
- wgk
- 3
- ridadr
- 1760
- hs_code
- 29222990
- risk_code
- 36/37/38-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi,C
- safety_code
- 26-37/39-45-36/37/39
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H314
- Precautionary statements
- P280-P305+P351+P338-P310
- DEA Controlled Substances
- CSCN: 7517CSA SCH: Schedule INARC: No
Chemistry & industry
Applications
UsesA series of 2,5-phenethylamines, collectively referred to as 2Cs, have psychoactive effects. The most effective 2C compounds are 2,5-dimethoxy-4-substituted phenethylamines; many are scheduled as ille gal substances. This product is intended for research and forensic applications.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 2-(2,5-dimethoxyphenyl)ethanamine is a dimethoxybenzene.
Related reactions
6 records
Compound notes
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