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771572-98-6 molecular structure
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3-(dimethyl-1,2-oxazol-4-yl)propan-1-amine

ChemBase ID: 24974
Molecular Formular: C8H14N2O
Molecular Mass: 154.20956
Monoisotopic Mass: 154.11061308
SMILES and InChIs

SMILES:
n1oc(c(c1C)CCCN)C
Canonical SMILES:
NCCCc1c(C)noc1C
InChI:
InChI=1S/C8H14N2O/c1-6-8(4-3-5-9)7(2)11-10-6/h3-5,9H2,1-2H3
InChIKey:
UUEBWEMWWZLONV-UHFFFAOYSA-N

Cite this record

CBID:24974 http://www.chembase.cn/molecule-24974.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(dimethyl-1,2-oxazol-4-yl)propan-1-amine
IUPAC Traditional name
3-(dimethyl-1,2-oxazol-4-yl)propan-1-amine
Synonyms
3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
3-(3,5-Dimethylisoxazol-4-yl)propan-1-amine
CAS Number
771572-98-6
MDL Number
MFCD06213632
PubChem SID
160988281
PubChem CID
16394817

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4923427  LogD (pH = 7.4) -1.9697593 
Log P 0.527721  Molar Refractivity 45.0706 cm3
Polarizability 16.809742 Å3 Polar Surface Area 52.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.0010 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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