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921938-81-0
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Basic Information
CAS No.: 921938-81-0
Name: 7-(Hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
Molecular Structure:
Molecular Structure of 921938-81-0 (7-(Hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine)
Formula: C9H12N2O2
Molecular Weight: 180.206
Synonyms: (4-Methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)methanol;7-(Hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;3,4-Dihydro-7-(hydroxymethyl)-4-methyl-2H-pyrido[3,2-b][1,4]oxazine
Density: 1.239g/cm3
Melting Point: 79.5-83.5°C
Boiling Point: 388 °C at 760 mmHg
Flash Point: 188.5 °C
PSA: 45.59000
LogP: 0.46750
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Specification

The 2H-Pyrido[3,2-b]-1,4-oxazine-7-methanol,3,4-dihydro-4-methyl-, with CAS registry number 921938-81-0, has the systematic name of (4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl)methanol. Besides this, it is also called 7-(Hydroxymethyl)-4-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine. And the chemical formula of this chemical is C9H12N2O2.

Physical properties of 2H-Pyrido[3,2-b]-1,4-oxazine-7-methanol,3,4-dihydro-4-methyl-: (1)ACD/LogP: 0.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.05; (4)#H bond acceptors: 4; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 45.59 Å2; (8)Index of Refraction: 1.577; (9)Molar Refractivity: 48.23 cm3; (10)Molar Volume: 145.4 cm3; (11)Polarizability: 19.12×10-24cm3; (12)Surface Tension: 51.7 dyne/cm; (13)Density: 1.239 g/cm3; (14)Flash Point: 188.5 °C; (15)Enthalpy of Vaporization: 67.2 kJ/mol; (16)Boiling Point: 388 °C at 760 mmHg; (17)Vapour Pressure: 1.03E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CN1CCOc2c1ncc(c2)CO
(2)InChI: InChI=1/C9H12N2O2/c1-11-2-3-13-8-4-7(6-12)5-10-9(8)11/h4-5,12H,2-3,6H2,1H3
(3)InChIKey: PPBFQXGUORHMBA-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H12N2O2/c1-11-2-3-13-8-4-7(6-12)5-10-9(8)11/h4-5,12H,2-3,6H2,1H3
(5)Std. InChIKey: PPBFQXGUORHMBA-UHFFFAOYSA-N