Basic Information | Post buying leads | Suppliers |
Name |
9H-Purine-2,6-diamine, 9-(4-methoxyphenyl)- |
EINECS | N/A |
CAS No. | 49753-42-6 | Density | 1.55 g/cm3 |
PSA | 104.87000 | LogP | 2.15090 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H12N6O | Boiling Point | 599.6 °C at 760 mmHg |
Molecular Weight | 256.26 | Flash Point | 316.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
9-(4-Methoxyphenyl)purine-2,6-diamine;NSC 46387;9-(4-methoxyphenyl)-9H-purine-2,6-diamine; |
The 9H-Purine-2,6-diamine, 9-(4-methoxyphenyl)-, with the CAS registry number 49753-42-6, is also known as 9-(4-Methoxyphenyl)purine-2,6-diamine. This chemical's molecular formula is C12H12N6O and molecular weight is 256.26. What's more, its systematic name is 9-(4-Methoxyphenyl)-9H-purine-2,6-diamine.
Physical properties of 9H-Purine-2,6-diamine, 9-(4-methoxyphenyl)- are: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 59.31 Å2; (7)Index of Refraction: 1.77; (8)Molar Refractivity: 68.35 cm3; (9)Molar Volume: 164.4 cm3; (10)Polarizability: 27.09×10-24 cm3; (11)Surface Tension: 68.3 dyne/cm; (12)Density: 1.55 g/cm3; (13)Flash Point: 316.4 °C; (14)Enthalpy of Vaporization: 89.26 kJ/mol; (15)Boiling Point: 599.6 °C at 760 mmHg; (16)Vapour Pressure: 2.46E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c2ncn(c2nc1N)c3ccc(OC)cc3)N
(2)InChI: InChI=1S/C12H12N6O/c1-19-8-4-2-7(3-5-8)18-6-15-9-10(13)16-12(14)17-11(9)18/h2-6H,1H3,(H4,13,14,16,17)
(3)InChIKey: QJNZHIBMALXZSJ-UHFFFAOYSA-N