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| Name |
9H-Purin-6-amine,N-(3-methylphenyl)- |
EINECS | N/A |
| CAS No. | 82760-82-5 | Density | 1.38 g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H11N5 | Boiling Point | 368.2 °C at 760 mmHg |
| Molecular Weight | 225.253 | Flash Point | 176.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1H-Purin-6-amine,N-(3-methylphenyl)- (9CI);6-(3-Methylanilino)purine;NSC 351558;N-(3-Methylphenyl)-5H-purin-6-amine; |
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: 25.88×10-24 cm3; (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
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