5-(Phenylmethyl)-1,3,4-oxadiazole-2-ethanamine supplier

Name
2-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanamine
EINECS 604-604-1
CAS No. 1017232-95-9
Density 1.164 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃N₃O
Boiling Point 374.39 °C at 760 mmHg
Molecular Weight 203.24
Flash Point 180.225 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(5-Benzyl-1,3,4-oxadiazol-2-yl)ethanamine;
PSA 64.94000
LogP 1.86190

5-(Phenylmethyl)-1,3,4-oxadiazole-2-ethanamine Specification

The 5-(Phenylmethyl)-1, 3, 4-oxadiazole-2-ethanamine, with the CAS registry number 1017232-95-9, is also known as TC-064577. This chemical's molecular formula is C₁₁H₁₃N₃O and molecular weight is 203.24. What's more, its IUPAC name is 2-(5-Benzyl-1, 3, 4-oxadiazol-2-yl)ethanamine.

Physical properties about 5-(Phenylmethyl)-1, 3, 4-oxadiazole-2-ethanamine are: (1)ACD/LogP: 0.75; (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): 9.287; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 64.94 Å²; (11)Index of Refraction: 1.568; (12)Molar Refractivity: 57.134 cm³; (13)Molar Volume: 174.572 cm³; (14)Polarizability: 22.65×10^-24 cm³; (15)Surface Tension: 50.874 dyne/cm; (16)Density: 1.164 g/cm³; (17)Flash Point: 180.225 °C; (18)Enthalpy of Vaporization: 62.177 kJ/mol; (19)Boiling Point: 374.39 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)Cc2nnc(o2)CCN
(2) InChI: InChI=1/C11H13N3O/c12-7-6-10-13-14-11(15-10)8-9-4-2-1-3-5-9/h1-5H,6-8,12H2
(3) InChIKey: KGQKPPASFROPOQ-UHFFFAOYAI

Product Name

2-(5-benzyl-1,3,4-oxadiazol-2-yl)ethanamine

5-(Phenylmethyl)-1,3,4-oxadiazole-2-ethanamine Specification

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