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Molecule structure of (3-Methylisoxazol-5-yl)methylamine (CAS NO.154016-55-4):
IUPAC Name: (3-Methyl-1,2-oxazol-5-yl)methanamine
Molecular Weight: 112.12982 [g/mol]
Molecular Formula: C5H8N2O
Index of Refraction: 1.5
Molar Refractivity: 29.92 cm3
Molar Volume: 101.7 cm3
Surface Tension: 41.9 dyne/cm
Density: 1.102 g/cm3
Flash Point: 84.8 °C
Enthalpy of Vaporization: 45.29 kJ/mol
Boiling Point: 216.6 °C at 760 mmHg
Vapour Pressure: 0.139 mmHg at 25 °C
XLogP3-AA: -0.3
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 1
Exact Mass: 112.063663
MonoIsotopic Mass: 112.063663
Topological Polar Surface Area: 52
Heavy Atom Count; 8
InChI: InChI=1S/C5H8N2O/c1-4-2-5(3-6)8-7-4/h2H,3,6H2,1H3
InChIKey: JKVMPILAJBLISV-UHFFFAOYSA-N
Canonical SMILES of (3-Methylisoxazol-5-yl)methylamine (CAS NO.154016-55-4): CC1=NOC(=C1)CN
(3-Methylisoxazol-5-yl)methylamine (CAS NO.154016-55-4) is also named as 1-(3-methylisoxazol-5-yl)methanamine .
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