CAS No.663619-89-4,4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE, 7-METHYL-2-(4-MORPHOLINYL)-9-[1-(PHENYLAMINO)ETHYL]- Suppliers

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Basic Information

Molecular Structure:
CAS No.:	663619-89-4
Name:	4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE, 7-METHYL-2-(4-MORPHOLINYL)-9-[1-(PHENYLAMINO)ETHYL]-
Article Data:	4

Formula:	C₂₁H₂₄N₄O₂
Molecular Weight:	364.447
Synonyms:	7-Methyl-2-(morpholin-4-yl)-9-[1-(phenylamino)ethyl]pyrido[1,2-a]pyrimidin-4-one;TGX 221;
Density:	1.259 g/cm³
Boiling Point:	557.293 °C at 760 mmHg
Flash Point:	290.841 °C
PSA:	58.87000
LogP:	3.15060

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Specification

The TGX 221 with the CAS number 663619-89-4 is also called 4H-Pyrido[1,2-a]pyrimidin-4-one,7-methyl-2-(4-morpholinyl)-9-[1-(phenylamino)ethyl]-. The systematic name is 7-methyl-2-morpholin-4-yl-9-[1-(phenylamino)ethyl]-4H-pyrido[1,2-a]pyrimidin-4-one. Its molecular formula is C₂₁H₂₄N₄O₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 153; (6)ACD/BCF (pH 7.4): 158; (7)ACD/KOC (pH 5.5): 1267; (8)ACD/KOC (pH 7.4): 1304; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 57.17Å²; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 105.023 cm³; (15)Molar Volume: 289.515 cm³; (16)Polarizability: 41.634×10^-24cm³; (17)Surface Tension: 48.38 dyne/cm; (18)Enthalpy of Vaporization: 83.908 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2\C=C(/N=C1/C(=C\C(=C/N12)C)C(Nc3ccccc3)C)N4CCOCC4
(2)InChI: InChI=1/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3
(3)InChIKey: CPRAGQJXBLMUEL-UHFFFAOYAQ