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41230-63-1

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Basic Information
CAS No.: 41230-63-1
Name: Acetamide, N-(4-amino-3-methyl-5-isoxazolyl)- (9CI)
Molecular Structure:
Molecular Structure of 41230-63-1 (Acetamide, N-(4-amino-3-methyl-5-isoxazolyl)- (9CI))
Formula: C6H9N3O2
Molecular Weight: 155.15456
Synonyms: Acetamide, N-(4-amino-3-methyl-5-isoxazolyl)- (9CI)
Density: 1.325 g/cm3
Boiling Point: 392.7 °C at 760 mmHg
Flash Point: 191.3 °C
PSA: 81.15000
LogP: 1.17780
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Specification

The N-(4-Amino-3-methyl-oxazol-5-yl)acetamide is an organic compound with the formula C6H9N3O2. The IUPAC name of this chemical is N-(4-amino-3-methyl-1,2-oxazol-5-yl)acetamide. With the CAS registry number 41230-63-1, it is also named as Acetamide, N-(4-amino-3-methyl-5-isoxazolyl)- (9CI). The product's category is Oxazole.

Physical properties about N-(4-Amino-3-methyl-oxazol-5-yl)acetamide are: (1)ACD/LogP: -1.55; (2)#H bond acceptors: 5; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 49.58 Å2; (6)Index of Refraction: 1.598; (7)Molar Refractivity: 39.97 cm3; (8)Molar Volume: 117 cm3; (9)Polarizability: 15.84×10-24cm3; (10)Surface Tension: 57.6 dyne/cm; (11)Density: 1.325 g/cm3; (12)Flash Point: 191.3 °C; (13)Enthalpy of Vaporization: 64.25 kJ/mol; (14)Boiling Point: 392.7 °C at 760 mmHg; (15)Vapour Pressure: 2.24E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1onc(c1N)C)C
(2)InChI: InChI=1/C6H9N3O2/c1-3-5(7)6(11-9-3)8-4(2)10/h7H2,1-2H3,(H,8,10)
(3)InChIKey: HUEKKRSEFIXCJX-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H9N3O2/c1-3-5(7)6(11-9-3)8-4(2)10/h7H2,1-2H3,(H,8,10)
(5)Std. InChIKey: HUEKKRSEFIXCJX-UHFFFAOYSA-N