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Basic Information
CAS No.: 78318-43-1
Name: 4-AMINO-2-MORPHOLINO-5-PYRIMIDINECARBONITRILE, 97
Article Data: 4
Molecular Structure:
Molecular Structure of 78318-43-1 (4-AMINO-2-MORPHOLINO-5-PYRIMIDINECARBONITRILE, 97)
Formula: C9H11N5O
Molecular Weight: 205.219
Synonyms: 4-Amino-2-morpholino-pyrimidin-5-carbonitril;4-AMINO-2-MORPHOLINO-5-PYRIMIDINECARBONITRILE;4-amino-2-(4-morpholinyl)-5-pyrimidinecarbonitriIe;4-AMINO-2-(4-MORPHOLINYL)-5-PYRIMIDINECARBONITRILE;
Density: 1.37 g/cm3
Melting Point: 232-233 °C
Boiling Point: 490.7 °C at 760 mmHg
Flash Point: 250.6 °C
Hazard Symbols: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Risk Codes:  Xn:Harmful;
">  Xn:Harmful;
PSA: 88.06000
LogP: 0.41328
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Specification

The 4-Amino-2-(4-morpholinyl)-5-pyrimidinecarbonitrile is an organic compound with the formula C9H11N5O. With the CAS registry number 78318-43-1, the systematic name of this chemical is 4-amino-2-morpholin-4-ylpyrimidine-5-carbonitrile.

Physical properties about 4-Amino-2-(4-morpholinyl)-5-pyrimidinecarbonitrile are: (1)ACD/LogP: -0.29; (2)ACD/LogD (pH 5.5): -0.69; (3)ACD/LogD (pH 7.4): -0.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.59; (7)ACD/KOC (pH 7.4): 16.29; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 65.28 Å2; (12)Index of Refraction: 1.625; (13)Molar Refractivity: 52.63 cm3; (14)Molar Volume: 148.7 cm3; (15)Polarizability: 20.86×10-24cm3; (16)Surface Tension: 82 dyne/cm; (17)Density: 1.37 g/cm3; (18)Flash Point: 250.6 °C; (19)Enthalpy of Vaporization: 75.73 kJ/mol; (20)Boiling Point: 490.7 °C at 760 mmHg; (21)Vapour Pressure: 8.92E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cnc(nc1N)N2CCOCC2
(2)InChI: InChI=1/C9H11N5O/c10-5-7-6-12-9(13-8(7)11)14-1-3-15-4-2-14/h6H,1-4H2,(H2,11,12,13)
(3)InChIKey: ICZKCFHKBVSIMZ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H11N5O/c10-5-7-6-12-9(13-8(7)11)14-1-3-15-4-2-14/h6H,1-4H2,(H2,11,12,13)
(5)Std. InChIKey: ICZKCFHKBVSIMZ-UHFFFAOYSA-N