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1021684-64-9 molecular structure
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1-[4-bromo-2,5-bis(2H3)methoxyphenyl]propan-2-amine

ChemBase ID: 167493
Molecular Formular: C11H16BrNO2
Molecular Mass: 274.15424
Monoisotopic Mass: 273.03644076
SMILES and InChIs

SMILES:
c1c(c(cc(c1OC)CC(N)C)OC)Br
Canonical SMILES:
COc1cc(Br)c(cc1CC(N)C)OC
InChI:
InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
InChIKey:
FXMWUTGUCAKGQL-UHFFFAOYSA-N

Cite this record

CBID:167493 http://www.chembase.cn/molecule-167493.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[4-bromo-2,5-bis(2H3)methoxyphenyl]propan-2-amine
IUPAC Traditional name
1-[4-bromo-2,5-bis(2H3)methoxyphenyl]propan-2-amine
Synonyms
4-Bromo-2,5-(dimethoxy-d6)-α-methylbenzeneethanamine
(+/-)-1-(4-Bromo-2,5-(dimethoxy-d6)phenyl)-2-aminopropane
(+/-)-2,5-(Dimethoxy-d6)-4-bromo-amphetamine
Brolamfetamine-d6
DOB-d6
dl-2,5-(Dimethoxy-d6)-4-bromo-amphetamine
2,5-Dimethoxy-4-bromoamphetamine-d6
CAS Number
1021684-64-9
PubChem SID
162261626
PubChem CID
71316115

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC D446587 external link Add to cart
PubChem 71316115 external link
Data Source Data ID Price
TRC
D446587 external link Add to cart Please log in.
Data Source Data ID
PubChem 71316115 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.75737745  LogD (pH = 7.4) -0.13536483 
Log P 2.2576606  Molar Refractivity 64.2544 cm3
Polarizability 25.123655 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
Tan Solid expand Show data source
Melting Point
64-66°C expand Show data source
Storage Condition
Controlled Substance, -20°C Freezer expand Show data source
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - D446587 external link
Labelled 2,5-Dimethoxy-4-bromoamphetamine (DOB) is one of the potent hallucinogenic phenylalkylamines with neurotoxic properties.

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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