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| CAS No.: | 96225-80-8 |
|---|---|
| Name: | 4-AMINO-6-MORPHOLINOPYRIMIDINE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C8H12N4O |
| Molecular Weight: | 180.209 |
| Synonyms: | Morpholine,4-(6-amino-4-pyrimidinyl)- (6CI);4-Amino-6-morpholinopyrimidine; |
| Density: | 1.274 g/cm3 |
| Boiling Point: | 420.896 °C at 760 mmHg |
| Flash Point: | 208.351 °C |
| PSA: | 64.27000 |
| LogP: | 0.54160 |
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- Total:23 Page 1 of 1 1
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Specification
The 4-Pyrimidinamine,6-(4-morpholinyl)- is an organic compound with the formula C8H12N4O. The systematic name of this chemical is 6-(morpholin-4-yl)pyrimidin-4-amine. With the CAS registry number 96225-80-8, it is also named as 4-Amino-6-morpholinopyrimidine.
Physical properties about 4-Pyrimidinamine,6-(4-morpholinyl)- are: (1)ACD/LogP: 0.65; (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): 13; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 64.27 Å2; (10)Index of Refraction: 1.601; (11)Molar Refractivity: 48.481 cm3; (12)Molar Volume: 141.472 cm3; (13)Polarizability: 19.22×10-24cm3; (14)Surface Tension: 63.978 dyne/cm; (15)Density: 1.274 g/cm3; (16)Flash Point: 208.351 °C; (17)Enthalpy of Vaporization: 67.483 kJ/mol; (18)Boiling Point: 420.896 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(ncn1)N2CCOCC2
(2)InChI: InChI=1/C8H12N4O/c9-7-5-8(11-6-10-7)12-1-3-13-4-2-12/h5-6H,1-4H2,(H2,9,10,11)
(3)InChIKey: XQOJWZMBGGYWCA-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H12N4O/c9-7-5-8(11-6-10-7)12-1-3-13-4-2-12/h5-6H,1-4H2,(H2,9,10,11)
(5)Std. InChIKey: XQOJWZMBGGYWCA-UHFFFAOYSA-N