CAS No.46182-58-5,C-(5-PHENYL-[1,3,4]OXADIAZOL-2-YL)-METHYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	46182-58-5
Name:	C-(5-PHENYL-[1,3,4]OXADIAZOL-2-YL)-METHYLAMINE
Article Data:	3

Formula:	C₉H₉N₃O
Molecular Weight:	175.19
Synonyms:	3-Aminomethyl-5-phenyl-1,3,4-oxadiazole;[(5-Phenyl-1,3,4-oxadiazol-2-yl)methyl]amine;
Density:	1.217 g/cm³
Boiling Point:	325.5 °C at 760 mmHg
Flash Point:	150.7 °C
Hazard Symbols:	Xi
Risk Codes:	25
Safety:	45
PSA:	64.94000
LogP:	1.89560

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Specification

The 1, 3, 4-Oxadiazole-2-methanamine, 5-phenyl-, with the CAS registry number of 46182-58-5, is also known as 3-Aminomethyl-5-phenyl-1, 3, 4-oxadiazole. This chemical's molecular formula is C₉H₉N₃O and molecular weight is 175.19. What's more, its systematic name is called 1-(5-Phenyl-1, 3, 4-oxadiazol-2-yl)methanamine.

Physical properties about 1, 3, 4-Oxadiazole-2-methanamine, 5-phenyl- are: (1)ACD/LogP: -0.18; (2)of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.96; (4)ACD/LogD (pH 7.4): -0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.14; (8)ACD/KOC (pH 7.4): 17.96; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.16 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 47.77 cm³; (15)Molar Volume: 143.9 cm³; (16)Surface Tension: 53.1 dyne/cm; (17)Density: 1.217 g/cm³; (18)Flash Point: 150.7 °C; (19)Enthalpy of Vaporization: 56.77 kJ/mol; (20)Boiling Point: 325.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000229 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1nc(oc1c2ccccc2)CN
(2) InChI: InChI=1/C9H9N3O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-5H,6,10H2
(3) InChIKey: NSDZEDPPVWGLBQ-UHFFFAOYAM