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CAS No.: | 933756-55-9 |
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Name: | (5-Benzyl-1,3,4-oxadiazol-2-yl)methanamine |
Molecular Structure: | |
Formula: | C10H11N3O |
Molecular Weight: | 189.217 |
Synonyms: | C-(5-Benzyl-[1,3,4]oxadiazol-2-yl)-methylamine;TC-064576; |
EINECS: | 604-604-1 |
Density: | 1.197 g/cm3 |
Boiling Point: | 353.1 °C at 760 mmHg |
Flash Point: | 167.4 °C |
PSA: | 64.94000 |
LogP: | 1.81940 |
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The (5-Benzyl-1,3,4-oxadiazol-2-yl)methanamine with CAS registry number of 933756-55-9 is also known as C-(5-Benzyl-[1,3,4]oxadiazol-2-yl)-methylamine. The IUPAC name and product name are the same. In addition, the formula is C10H11N3O and the molecular weight is 189.21.
Physical properties about (5-Benzyl-1,3,4-oxadiazol-2-yl)methanamine are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.76; (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 4; (7)Index of Refraction: 1.578; (8)Molar Refractivity: 52.5 cm3; (9)Molar Volume: 158 cm3; (10)Surface Tension: 52.9 dyne/cm; (11)Density: 1.197 g/cm3; (12)Flash Point: 167.4 °C; (13)Enthalpy of Vaporization: 59.8 kJ/mol; (14)Boiling Point: 353.1 °C at 760 mmHg; (15)Vapour Pressure: 3.67E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES:c1ccc(cc1)Cc2nnc(o2)CN
2. InChI:InChI=1/C10H11N3O/c11-7-10-13-12-9(14-10)6-8-4-2-1-3-5-8/h1-5H,6-7,11H2
3. InChIKey:PDBPEHJDTFADTJ-UHFFFAOYAV
4. Std. InChI:InChI=1S/C10H11N3O/c11-7-10-13-12-9(14-10)6-8-4-2-1-3-5-8/h1-5H,6-7,11H2
5. Std. InChIKey:PDBPEHJDTFADTJ-UHFFFAOYSA-N