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Cas Database |
| Name |
(3-Methylisoxazol-5-yl)methylamine |
EINECS | N/A | ||
| CAS No. | 154016-55-4 | Density | 1.102g/cm3 | ||
| PSA | 52.05000 | LogP | 1.14200 | ||
| Solubility | N/A | Melting Point |
N/A |
||
| Formula | C5H8 N2 O | Boiling Point | 216.6°C at 760 mmHg | ||
| Molecular Weight | 112.131 | Flash Point | 84.8°C | ||
| Transport Information | N/A | Appearance | N/A | ||
| Safety |
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Risk Codes |
 Xi:; |
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| Molecular Structure |
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Hazard Symbols |
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| Synonyms |
(3-Methylisoxazol-5-yl)methanamine;1-(3-Methylisoxazol-5-yl)methanamine; 5-Aminomethyl-3-methylisoxazole;[(3-Methyl-5-isoxazolyl)methyl]amine; [(3-Methylisoxazol-5-yl)methyl]amine |
Article Data | 4 |
(3-Methylisoxazol-5-yl)methylamine Chemical Properties
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 Specification
(3-Methylisoxazol-5-yl)methylamine (CAS NO.154016-55-4) is also named as 1-(3-methylisoxazol-5-yl)methanamine .
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