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152477-94-6 molecular structure
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4-methyl-5-(2H5)phenyl-4,5-dihydro-1,3-oxazol-2-amine

ChemBase ID: 173301
Molecular Formular: C10H12N2O
Molecular Mass: 176.21508
Monoisotopic Mass: 176.09496301
SMILES and InChIs

SMILES:
c1cccc(c1)C1OC(=NC1C)N
Canonical SMILES:
CC1N=C(OC1c1ccccc1)N
InChI:
InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)
InChIKey:
LJQBMYDFWFGESC-UHFFFAOYSA-N

Cite this record

CBID:173301 http://www.chembase.cn/molecule-173301.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-5-(2H5)phenyl-4,5-dihydro-1,3-oxazol-2-amine
IUPAC Traditional name
4-methyl-5-(2H5)phenyl-4,5-dihydro-1,3-oxazol-2-amine
Synonyms
4,5-Dihydro-4-methyl-5-(phenyl-d5)-2-oxazolamine
2-Amino-4-methyl-5-(phenyl-d5)-2-oxazoline
McN 822-d5
4-Methyl Aminorex-d5
CAS Number
152477-94-6
PubChem SID
164229211
PubChem CID
71750187

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC M287227 external link Add to cart
PubChem 71750187 external link
Data Source Data ID Price
TRC
M287227 external link Add to cart Please log in.
Data Source Data ID
PubChem 71750187 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.2132686  LogD (pH = 7.4) 1.651114 
Log P 1.8787307  Molar Refractivity 50.1669 cm3
Polarizability 19.535572 Å3 Polar Surface Area 47.61 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 - M287227 external link
Labelled 4-Methylaminorex, a stimulant drug of the 2-amino-5-aryloxazoline class. 4-Methylaminorex has effects similar to Methamphetamine (M258795) but with much longer duration. Studies show that effects of 4-Methylaminorex are stimulant in nature, produ

REFERENCES

REFERENCES

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  • • Young, R. et al.: Pharmacol. Biochem. Behav., 42 , 175 (1992)
  • • Glennon, R.A. et al.: Pharmacol. Biochem. Behav., 35, 517 (1992)
  • • Kankaanpaa, A. et al.: J. Pharmacol. Exp. Therap., 300, 450 (1992)
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PATENTS

PATENTS

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INTERNET

INTERNET

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