9H-Purin-6-amine,N-(3-methylphenyl)- supplier

Name
N-(3-methylphenyl)-5H-purin-6-amine
EINECS
CAS No. 82760-82-5
Density 1.38 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁N₅
Boiling Point 368.2 °C at 760 mmHg
Molecular Weight 225.253
Flash Point 176.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Purin-6-amine,N-(3-methylphenyl)- (9CI);6-(3-Methylanilino)purine;NSC 351558;N-(3-Methylphenyl)-5H-purin-6-amine;
PSA
LogP

9H-Purin-6-amine,N-(3-methylphenyl)- Specification

The 9H-Purin-6-amine,N-(3-methylphenyl)-, with the CAS registry number 82760-82-5, is also known as 6-(3-Methylanilino)purine. This chemical's molecular formula is C₁₂H₁₁N₅ and molecular weight is 225.25. What's more, its systematic name is N-(3-Methylphenyl)-5H-purin-6-amine.

Physical properties of 9H-Purin-6-amine,N-(3-methylphenyl)- are: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 52.68 Å²; (7)Index of Refraction: 1.733; (8)Molar Refractivity: 65.28 cm³; (9)Molar Volume: 162.9 cm³; (10)Polarizability: 25.88×10^-24cm³; (11)Surface Tension: 55.3 dyne/cm; (12)Density: 1.38 g/cm³; (13)Flash Point: 176.5 °C; (14)Enthalpy of Vaporization: 61.48 kJ/mol; (15)Boiling Point: 368.2 °C at 760 mmHg; (16)Vapour Pressure: 1.3E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=CC=C1)NC2=NC=NC3=C2NC=N3
(2)InChI: InChI=1S/C12H11N5/c1-8-3-2-4-9(5-8)17-12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H2,13,14,15,16,17)
(3)InChIKey: VPNQRIINNCGTDE-UHFFFAOYSA-N

Product Name

N-(3-methylphenyl)-5H-purin-6-amine

9H-Purin-6-amine,N-(3-methylphenyl)- Specification

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