(+-)-3,4-Dimethoxyamphetamine

HCID 8423CAS 120-26-3
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(CC(C)N)cc1OC
InChIKey
KAZPHAGSWZTKDW-UHFFFAOYSA-N
Molecular formula
C11H17NO2
Average molar mass
195.26 g/mol
Monoisotopic mass
195.12592878

Overview

RN given refers to parent cpd without isomeric designation

Names & identifiers

Preferred name
(+-)-3,4-Dimethoxyamphetamine
IUPAC
1-(3,4-dimethoxyphenyl)propan-2-amine
English name
3,4-dimethoxy-alpha-methylphenethylamine
Molecular formula
C11H17NO2
Molecular weight
195.26

Names & synonyms

3,4-Dimethoxyamphetamine120-26-3alpha-MethylhomoveratrylamineEMH5PUB78VBenzeneethanamine, 3,4-dimethoxy-alpha-methyl-DTXSID50902787RefChem:486295(+-)-3,4-DimethoxyamphetamineDTXCID8010031241-(3,4-dimethoxyphenyl)propan-2-amine3,4-Dimethoxy-alpha-methylphenethylamine3,4-Dimethoxyphenylisopropylamine
Show more names
Einecs 204-383-7α-Methyl-3,4-dimethoxyphenethylamine3-(3,4-Dimethoxyphenyl)-2-propanamineα-Methyl-3,4-dimethoxybenzeneethanamine3,4-Dimethoxy-α-methylbenzeneethanamine
1-(3,4-Dimethoxyphenyl)-2-propanamine1-(3,4-Dimethoxyphenyl)-2-aminopropane.alpha.-MethylhomoveratrylamineCHEMBL277540Benzeneethanamine, 3,4-dimethoxy-.alpha.-methyl-3,4-Dimethoxy-.alpha.-methylphenethylamine2-(3,4-Dimethoxy-phenyl)-1-methyl-ethylamineBenzenethanamine, 3,4-dimethoxy-.alpha.-methyl-

Database identifiers

CAS
120-26-3
PubChem CID
8423
DTXSID
DTXSID50902787
ChEMBL
CHEMBL277540
UNII
EMH5PUB78V
EC Number
204-383-7
Nikkaji
J273.466D

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
44.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
14

Physicochemical properties

Melting point
39 · 39-40 °C
Boiling point
154 °C · 154 °C(Press: 9 Torr)
Density
1.0624 g/cm3 · 1.0624 g/cm3(Temp: 25 °C)
pka
9.78 · 9.78±0.10(Predicted)
EWG's Food Scores
1 · 1
FDA UNII
5 PUB78V · EMH5PUB78V

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications

Uses3,4-Dimethoxyamphetamine is an Amphetamine designer drug that is mainly used for their stimulating effects.

Upstream & downstream products

Suppliers6 total

烟台盛凯伦生物制品有限公司13356901049 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
南京阿斯法姆医药科技有限公司02558867862; 18751812725 · [email protected]

Related reactions

29 records
New reaction record

Linked notes

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