9H-Purine-2,6-diamine, 9-(4-methoxyphenyl)- supplier

Name
9-(4-methoxyphenyl)purine-2,6-diamine
EINECS
CAS No. 49753-42-6
Density 1.55 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₂N₆O
Boiling Point 599.6 °C at 760 mmHg
Molecular Weight 256.26
Flash Point 316.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 9-(4-Methoxyphenyl)purine-2,6-diamine;NSC 46387;9-(4-methoxyphenyl)-9H-purine-2,6-diamine;
PSA 104.87000
LogP 2.15090

9H-Purine-2,6-diamine, 9-(4-methoxyphenyl)- Specification

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^-24cm³; (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

Product Name

9-(4-methoxyphenyl)purine-2,6-diamine

9H-Purine-2,6-diamine, 9-(4-methoxyphenyl)- Specification

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