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54924-47-9

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Basic Information
CAS No.: 54924-47-9
Name: 3-Aminotetrahydro-1,3-oxazin-2-one
Article Data: 3
Molecular Structure:
Molecular Structure of 54924-47-9 (3-Aminotetrahydro-1,3-oxazin-2-one)
Formula: C4H8N2O2
Molecular Weight: 116.06
Synonyms: 3-Aminotetrahydro-1,3-oxazin-2-one;3-Aminotetrahydro-2H-1,3-oxazin-2-one
Density: 1.253 g/cm3
Boiling Point: 187.2 °C at 760 mmHg
Flash Point: 67 °C
PSA: 55.56000
LogP: 0.34060
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Specification

The IUPAC name of this chemical is 3-Aminotetrahydro-1,3-oxazin-2-one. The CAS registry number 54924-47-9. In addition, the molecular formula is C4H8N2O2. It belongs to the classes of Chemical Amines; Heterocycles. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 4.3; (4)ACD/KOC (pH 7.4): 4.33; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 55.56 Å2; (9)Index of Refraction: 1.501; (10)Molar Refractivity: 27.3 cm3; (11)Molar Volume: 92.6 cm3; (12)Polarizability: 10.82 ×10-24cm3; (13)Surface Tension: 46.6 dyne/cm; (14)Density: 1.253 g/cm3; (15)Flash Point: 67 °C; (16)Enthalpy of Vaporization: 42.34 kJ/mol; (17)Boiling Point: 187.2 °C at 760 mmHg; (18)Vapour Pressure: 0.639 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCCCN1N
(2)InChI: InChI=1/C4H8N2O2/c5-6-2-1-3-8-4(6)7/h1-3,5H2
(3)InChIKey: PISNODKEJUFUNQ-UHFFFAOYAH