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CAS No.: | 1197196-48-7 |
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Name: | UNC 0224 |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C26H43N7O2 |
Molecular Weight: | 485.6653 |
Synonyms: | 4-Quinazolinamine, 7-[3-(dimethylamino)propoxy]-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6-methoxy-N-(1-methyl-4-piperidinyl)-; |
Density: | 1.142 g/cm3 |
Boiling Point: | 641.042 °C at 760 mmHg |
Flash Point: | 341.49 °C |
PSA: | 69.23000 |
LogP: | 2.63070 |
The UNC0224, with the CAS registry number 1197196-48-7, is also known as 4-Quinazolinamine, 7-[3-(dimethylamino)propoxy]-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-6-methoxy-N-(1-methyl-4-piperidinyl)-. This chemical's molecular formula is C26H43N7O2 and molecular weight is 485.6653. What's more, its systematic name is called 7-[3-(Dimethylamino)propoxy]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine.
Physical properties about UNC0224 are: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 9; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 69.23 Å2; (11)Index of Refraction: 1.589; (12)Molar Refractivity: 143.286 cm3; (13)Molar Volume: 425.357 cm3; (14)Surface Tension: 49.587 dyne/cm; (15)Density: 1.142 g/cm3; (16)Flash Point: 341.49 °C; (17)Enthalpy of Vaporization: 94.633 kJ/mol; (18)Boiling Point: 641.042 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CN1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)C)OC)OCCCN(C)C
(2) InChI: InChI=1/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29)
(3) InChIKey: XIVUGRBSBIXXJE-UHFFFAOYAX