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1060817-49-3 molecular structure
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(5-cyclopropyl-1,2-oxazol-3-yl)methanamine

ChemBase ID: 308446
Molecular Formular: C7H10N2O
Molecular Mass: 138.1671
Monoisotopic Mass: 138.07931295
SMILES and InChIs

SMILES:
c1(cc(no1)CN)C1CC1
Canonical SMILES:
NCc1noc(c1)C1CC1
InChI:
InChI=1S/C7H10N2O/c8-4-6-3-7(10-9-6)5-1-2-5/h3,5H,1-2,4,8H2
InChIKey:
YAGKRVQCDOMDOS-UHFFFAOYSA-N

Cite this record

CBID:308446 http://www.chembase.cn/molecule-308446.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5-cyclopropyl-1,2-oxazol-3-yl)methanamine
IUPAC Traditional name
(5-cyclopropyl-1,2-oxazol-3-yl)methanamine
Synonyms
1-(5-cyclopropyl-3-isoxazolyl)methanamine
CAS Number
1060817-49-3
MDL Number
MFCD11053974

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4030399 external link Add to cart 4087915 external link Add to cart
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.31595  LogD (pH = 7.4) -0.6312419 
Log P 0.16836219  Molar Refractivity 37.7943 cm3
Polarizability 14.402823 Å3 Polar Surface Area 52.05 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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