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41632-56-8 molecular structure
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1-(4-methylphenyl)propan-2-amine hydrochloride

ChemBase ID: 173310
Molecular Formular: C10H16ClN
Molecular Mass: 185.69374
Monoisotopic Mass: 185.0971272
SMILES and InChIs

SMILES:
c1c(ccc(c1)CC(N)C)C.Cl
Canonical SMILES:
CC(Cc1ccc(cc1)C)N.Cl
InChI:
InChI=1S/C10H15N.ClH/c1-8-3-5-10(6-4-8)7-9(2)11;/h3-6,9H,7,11H2,1-2H3;1H
InChIKey:
KOFSZKDEQWGBDN-UHFFFAOYSA-N

Cite this record

CBID:173310 http://www.chembase.cn/molecule-173310.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-methylphenyl)propan-2-amine hydrochloride
IUPAC Traditional name
4-methylamphetamine hydrochloride
Synonyms
α,4-Dimethylbenzeneethanamine Hydrochloride
(±)-4-Methylamphetamine Hydrochloride
rac 4-Methylamphetamine Hydrochloride
CAS Number
41632-56-8
PubChem SID
164229220
PubChem CID
199115

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC M287400 external link Add to cart
PubChem 199115 external link
Data Source Data ID Price
TRC
M287400 external link Add to cart Please log in.
Data Source Data ID
PubChem 199115 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.7020011  LogD (pH = 7.4) -0.17240587 
Log P 2.3176718  Molar Refractivity 48.7464 cm3
Polarizability 19.128872 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M287400 external link
A methylated analog of Amphetamine (A634248). A stimulant and anorectic drug. It acts as a potent and balanced serotonin, norepinephrine, and dopamine releasing agent. Controlled Substance

REFERENCES

REFERENCES

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  • • Wee, S. et al.: J. Pharmacol. Exp. Therap., 313, 848 (2004)
  • • Higgs, R.A. et al.: Pharmacol. Biochem. Behav., 37, 835 (2004)
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PATENTS

PATENTS

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INTERNET

INTERNET

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