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15589-00-1 molecular structure
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1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine hydrochloride

ChemBase ID: 167494
Molecular Formular: C12H20ClNO2
Molecular Mass: 245.7457
Monoisotopic Mass: 245.11825657
SMILES and InChIs

SMILES:
c1c(c(cc(c1OC)CC(N)C)OC)C.Cl
Canonical SMILES:
COc1cc(C)c(cc1CC(N)C)OC.Cl
InChI:
InChI=1S/C12H19NO2.ClH/c1-8-5-12(15-4)10(6-9(2)13)7-11(8)14-3;/h5,7,9H,6,13H2,1-4H3;1H
InChIKey:
IPIMRNFGYPQKAM-UHFFFAOYSA-N

Cite this record

CBID:167494 http://www.chembase.cn/molecule-167494.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2,5-dimethoxy-4-methylphenyl)propan-2-amine hydrochloride
IUPAC Traditional name
(RS)-dom hydrochloride
Synonyms
(+/-)-1-(4-Methyl-2,5-dimethoxyphenyl)-2-aminopropane Hydrochloride
2,5-Dimethoxymethylamphetamine Hydrochloride
dl-2,5-Dimethoxy-4-methylamphetamine Hydrochloride
(+/-)-DOM Hydrochloride
STP Hydrochloride
dl-2',5'-Dimethoxy-4'-methylamphetamine Hydrochloride
2,5-Dimethoxy-4-methylamphetamine Hydrochloride
CAS Number
15589-00-1
PubChem SID
162261627
PubChem CID
85874

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D446590 external link Add to cart
PubChem 85874 external link
Data Source Data ID Price
TRC
D446590 external link Add to cart Please log in.
Data Source Data ID
PubChem 85874 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0139972  LogD (pH = 7.4) -0.41565815 
Log P 2.0023293  Molar Refractivity 61.6728 cm3
Polarizability 24.102198 Å3 Polar Surface Area 44.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
White to Off-White Solid expand Show data source
Melting Point
185-188°C expand Show data source
Storage Condition
Controlled Substance, Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D446590 external link
2,5-Dimethoxy-4-methylamphetamine (DOM, STP) is one of the potent hallucinogenic phenylalkylamines with neurotoxic properties. Hallucinogen.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Monte, A., et al.: J. Med. Chem., 39, 2953 (1996)
  • • Pedersen, W., et al.: Addiction, 94, 1695 (1996)
  • • Kanamori, T., et al.: J. Anal. Toxicol., 26, 61 (1996)
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PATENTS

PATENTS

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INTERNET

INTERNET

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