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CAS No.: | 1687-52-1 |
---|---|
Name: | 2-AMINO-6-METHYLQUINAZOLINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C9H9N3 |
Molecular Weight: | 159.191 |
Synonyms: | 2-Amino-6-methylquinazoline;6-Methylquinazolin-2-amine; |
Density: | 1.238 g/cm3 |
Boiling Point: | 378.3 °C at 760 mmHg |
Flash Point: | 210.6 °C |
PSA: | 51.80000 |
LogP: | 2.10160 |
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The 2-Quinazolinamine,6-methyl-, with the CAS registry number 1687-52-1, is also known as 2-Amino-6-methylquinazoline. This chemical's molecular formula is C9H9N3 and molecular weight is 159.19. What's more, its systematic name is 6-Methylquinazolin-2-amine.
Physical properties of 2-Quinazolinamine,6-methyl- are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 5.02; (6)ACD/BCF (pH 7.4): 5.72; (7)ACD/KOC (pH 5.5): 106.29; (8)ACD/KOC (pH 7.4): 121.17; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.693; (14)Molar Refractivity: 49.33 cm3; (15)Molar Volume: 128.5 cm3; (16)Polarizability: 19.55×10-24 cm3; (17)Surface Tension: 63.4 dyne/cm; (18)Density: 1.238 g/cm3; (19)Flash Point: 210.6 °C; (20)Enthalpy of Vaporization: 62.62 kJ/mol; (21)Boiling Point: 378.3 °C at 760 mmHg; (22)Vapour Pressure: 6.33E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: n2c1c(cc(cc1)C)cnc2N
(2)InChI: InChI=1/C9H9N3/c1-6-2-3-8-7(4-6)5-11-9(10)12-8/h2-5H,1H3,(H2,10,11,12)
(3)InChIKey: SNBAZGAHVJGFDT-UHFFFAOYAU