Basic information
- CAS
66142-81-2- Standard SMILES
COc1cc(CCN)c(OC)cc1Br- InChIKey
YMHOBZXQZVXHBM-UHFFFAOYSA-N- Molecular formula
- C10H14BrNO2
- Average molar mass
- 260.13 g/mol
- Monoisotopic mass
- 259.02079
Overview
2,5-dimethoxy-4-bromophenethylamine is a 2-arylethylamine compound where the aryl moiety is 4-bromo-2,5-dimethoxyphenyl.
Names & identifiers
- Preferred name
- 4-Bromo-2,5-Dimethoxyphenethylamine
- IUPAC
- 2-(4-bromo-2,5-dimethoxyphenyl)ethanamine
- English name
- (+/-) 1-(4-Bromo-2 5-dimethoxyphenyl)-2&
- Molecular formula
- C10H14BrNO2
- Molecular weight
- 260.13
Names & synonyms
4-Bromo-2,5-dimethoxyphenethylamine66142-81-22-(4-Bromo-2,5-dimethoxyphenyl)ethanamine2-(4-Bromo-2,5-dimethoxyphenyl)ethylamine2,5-Dimethoxy-4-bromophenethylamine4-Bromo-2,5-dimethoxyphenylethylamineBenzeneethanamine, 4-bromo-2,5-dimethoxy-V77772N32HCHEBI:189669RefChem:828882C-BNexus
Show more names
4-Bromo-2,5-DimethoxyphenethylTUCIDea no. 7392YMHOBZXQZVXHBM-UHFFFAOYSA-N2C-B Skype : honestcooperation4-bromo-2,5-methoxyphenethylamine4-BROM-2,5-DIMETHOXYPHENYLETHYLAMIN
BDMPEA2-CBCHEMBL2928214-BROMO-2,5-DIMETHOXYBENZENEETHANAMINEEros [Street Name]Nexus [Street Name]Venus [Street Name]Nexus (pharmaceutical)
Database identifiers
- CAS
66142-81-2- PubChem CID
- 98527
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 168
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Phenethylamines (2C Series) (H)
DEA Schedule I Controlled Substance -> Hallucinogenic substances
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Pharmaceuticals -> Listed in ZINC15
Collision Cross Section
155.6 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
157.6 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated]
Physicochemical properties
- Boiling point
- 332.9 · 332.9±37.0 °C(Predicted)
- Density
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- pka
- 9.37 · 9.37±0.10(Predicted)
- FDA UNII
- 77772 N32H · V77772N32H
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 310 · H310-H330-H300
- Precautionary statements
- 260 · P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
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
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationDEA schedule I controlled substance
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- ridadr
- 2811
- risk_code
- 26/27/28
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T+
- safety_code
- 22-36/37/39-45
- hazard_class
- 6.1(a)
- packing_group
- I
- Hazard statements
- H310-H330-H300
- Precautionary statements
- P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Endogenous compounds and drugs that specifically stimulate SEROTONIN 5-HT2 RECEPTORS. Included under this heading are agonists for one or more of the specific 5-HT2 receptor subtypes.
Compounds that bind to and activate ADRENERGIC ALPHA-1 RECEPTORS.
Additional notes
DefinitionChEBI: A 2-arylethylamine compound where the aryl moiety is 4-bromo-2,5-dimethoxyphenyl.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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