Home > Compound List > Compound details
1329610-51-6 molecular structure
click picture or here to close

5-[4-(2H3)methylphenyl]-4,5-dihydro-1,3-oxazol-2-amine

ChemBase ID: 173303
Molecular Formular: C10H12N2O
Molecular Mass: 176.21508
Monoisotopic Mass: 176.09496301
SMILES and InChIs

SMILES:
c1c(ccc(c1)C1OC(=NC1)N)C
Canonical SMILES:
NC1=NCC(O1)c1ccc(cc1)C
InChI:
InChI=1S/C10H12N2O/c1-7-2-4-8(5-3-7)9-6-12-10(11)13-9/h2-5,9H,6H2,1H3,(H2,11,12)
InChIKey:
ZEQYKJRCFOFECD-UHFFFAOYSA-N

Cite this record

CBID:173303 http://www.chembase.cn/molecule-173303.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-[4-(2H3)methylphenyl]-4,5-dihydro-1,3-oxazol-2-amine
IUPAC Traditional name
5-[4-(2H3)methylphenyl]-4,5-dihydro-1,3-oxazol-2-amine
Synonyms
4,5-Dihydro-5-[4-(methyl-d3)phenyl]-2-oxazolamine
4'-Methyl-d3 Aminorex
CAS Number
1329610-51-6
PubChem SID
164229213
PubChem CID
71750188

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M287232 external link Add to cart
PubChem 71750188 external link
Data Source Data ID Price
TRC
M287232 external link Add to cart Please log in.
Data Source Data ID
PubChem 71750188 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.475693  H Acceptors
H Donor LogD (pH = 5.5) 0.11728047 
LogD (pH = 7.4) 1.6274955  Log P 1.975577 
Molar Refractivity 50.7893 cm3 Polarizability 19.513203 Å3
Polar Surface Area 47.61 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 Solid expand Show data source
Melting Point
118-121°C expand Show data source
Storage Condition
-20°C Freezer, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - M287232 external link
Labelled Aminorex (A629200) derivative.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle