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2207-50-3 molecular structure
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5-phenyl-4,5-dihydro-1,3-oxazol-2-amine

ChemBase ID: 1286
Molecular Formular: C9H10N2O
Molecular Mass: 162.1885
Monoisotopic Mass: 162.07931295
SMILES and InChIs

SMILES:
O1C(CN=C1N)c1ccccc1
Canonical SMILES:
NC1=NCC(O1)c1ccccc1
InChI:
InChI=1S/C9H10N2O/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)
InChIKey:
SYAKTDIEAPMBAL-UHFFFAOYSA-N

Cite this record

CBID:1286 http://www.chembase.cn/molecule-1286.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-phenyl-4,5-dihydro-1,3-oxazol-2-amine
IUPAC Traditional name
aminorex fumarate
aminorex
Brand Name
Apiquel
Monocil
Synonyms
2-Amino-5-phenyl-2-oxazoline
Aminoxafen
Apiquel
CPDD 0039
McN 742
NSC 66592
NSC 66952
Aminorex
4,5-Dihydro-5-phenyl-2-oxazolamine
Aminoxaphen
Aminorex
CAS Number
2207-50-3
MDL Number
MFCD00214070
PubChem SID
160964746
46507089
PubChem CID
16630

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 19.475702  H Acceptors
H Donor LogD (pH = 5.5) -0.39614096 
LogD (pH = 7.4) 1.1140741  Log P 1.4621556 
Molar Refractivity 45.7481 cm3 Polarizability 17.671291 Å3
Polar Surface Area 47.61 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P 1.16  LOG S -2.31 
Solubility (Water) 7.92e-01 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
0.1 M HCl: soluble expand Show data source
ethanol: soluble expand Show data source
H2O: insoluble expand Show data source
Apperance
white solid expand Show data source
RTECS
RQ4500000 expand Show data source
European Hazard Symbols
Highly toxic Highly toxic (T+) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
26/27/28 expand Show data source
Safety Statements
22-36/37/39-45 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H300-H310-H330 expand Show data source
GHS Precautionary statements
P260-P264-P280-P284-P302 + P350-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 2 expand Show data source
Drug Control
USDEA Schedule I; Home Office Schedule 4.1; psychotrope; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C9H10N2O expand Show data source

DETAILS

DETAILS

DrugBank DrugBank Sigma Aldrich Sigma Aldrich TRC TRC
DrugBank - DB01490 external link
Item Information
Drug Groups illicit; experimental
Description An amphetamine-like anorectic agent. It may cause pulmonary hypertension. [PubChem]
External Links
Wikipedia
Sigma Aldrich - A170 external link
Substrates
Anorexic; a substrate of the serotonin transporter that also releases serotonin from platelets.
Toronto Research Chemicals - A629200 external link
Aminorex is a metabolite of Levamisole (L331100). Aminorex is an anorectic stimulant drug of the 2-amino-5-aryl oxazoline class. Aminorex has been shown to have locomotor stimulant effects similar to Methamphetamine (M258795).

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Poos, G., et al.: J. Med. Chem., 6, 266 (1963)
  • • Watson, A., et al.: Res. Vet. Sci., 45, 411 (1963)
  • • Russell, B., et al.: Pharmacol. Biochem. Behav., 51, 375 (1963)
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PATENTS

PATENTS

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INTERNET

INTERNET

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