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| CAS No.: | 933696-71-0 |
|---|---|
| Name: | 6-Quinazolinemethanamine |
| Molecular Structure: | |
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| Formula: | C9H9N3 |
| Molecular Weight: | 159.19 |
| Synonyms: | [Quinazolin-6-yl-methyl]amine;1-(Chinazolin-6-yl)methanamin; |
| Density: | 1.225 g/cm3 |
| Boiling Point: | 323.038 °C at 760 mmHg |
| Flash Point: | 175.239 °C |
| PSA: | 51.80000 |
| LogP: | 1.78880 |
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Specification
The 6-Quinazolinemethanamine with the CAS number 933696-71-0 is also called 1-(Chinazolin-6-yl)methanamin. Both the systematic name and IUPAC name are quinazolin-6-ylmethanamine. Its molecular formula is C9H9N3. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 6-Quinazolinemethanamine are: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 3.731; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 51.8 Å2; (11)Index of Refraction: 1.673; (12)Molar Refractivity: 48.73 cm3; (13)Molar Volume: 129.985 cm3; (14)Polarizability: 19.318×10-24cm3; (15)Surface Tension: 62.342 dyne/cm; (16)Enthalpy of Vaporization: 56.494 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1CN)cncn2
(2)InChI: InChI=1/C9H9N3/c10-4-7-1-2-9-8(3-7)5-11-6-12-9/h1-3,5-6H,4,10H2
(3)InChIKey: ULKPNIDXDVRTGI-UHFFFAOYAW