5-Isoxazolemethanamine supplier

Name
C-ISOXAZOL-5-YL-METHYLAMINE
EINECS 604-604-1
CAS No. 401647-18-5
Article Data2
CAS DataBase
Density 1.148 g/cm³
Solubility
Melting Point
Formula C₄H₆N₂O
Boiling Point 206.994 °C at 760 mmHg
Molecular Weight 98.1
Flash Point 78.988 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isoxazol-5yl-methylamine;
PSA 52.05000
LogP 0.83360

5-Isoxazolemethanamine Specification

The 5-Isoxazolemethanamine is an organic compound with the formula C₄H₆N₂O. The systematic name of this chemical is 1-(1,2-oxazol-5-yl)methanamine. With the CAS registry number 401647-18-5, it is also named as Isoxazol-5yl-methylamine.

Physical properties about 5-Isoxazolemethanamine are: (1)ACD/LogP: -1.59; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 52.05 Å²; (10)Index of Refraction: 1.499; (11)Molar Refractivity: 25.095 cm³; (12)Molar Volume: 85.44 cm³; (13)Polarizability: 9.949×10^-24cm³; (14)Surface Tension: 44.964 dyne/cm; (15)Density: 1.148 g/cm³; (16)Flash Point: 78.988 °C; (17)Enthalpy of Vaporization: 44.324 kJ/mol; (18)Boiling Point: 206.994 °C at 760 mmHg; (19)Vapour Pressure: 0.231 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NCc1ccno1
(2)InChI: InChI=1/C4H6N2O/c5-3-4-1-2-6-7-4/h1-2H,3,5H2
(3)InChIKey: OYNWFDBANWIYDA-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C4H6N2O/c5-3-4-1-2-6-7-4/h1-2H,3,5H2
(5)Std. InChIKey: OYNWFDBANWIYDA-UHFFFAOYSA-N

Product Name

C-ISOXAZOL-5-YL-METHYLAMINE

5-Isoxazolemethanamine Specification

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