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368426-78-2

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Basic Information
CAS No.: 368426-78-2
Name: 3-Amino-1,2-benzisoxazole-6-methanamine
Article Data: 5
Molecular Structure:
Molecular Structure of 368426-78-2 (3-Amino-1,2-benzisoxazole-6-methanamine)
Formula: C8H9N3O
Molecular Weight: 163.179
Synonyms: 6-(Aminomethyl)-1,2-benzisoxazol-3-amine;3-Amino-1,2-benzisoxazole-6-methanamine;
Density: 1.339 g/cm3
Boiling Point: 388.272 °C at 760 mmHg
Flash Point: 188.62 °C
PSA: 78.80000
LogP: 1.49910
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Specification

The 3-Amino-1,2-benzisoxazole-6-methanamine with the cas number 368426-78-2 is also called 1,2-Benzisoxazole-6-methanamine,3-amino-. The systematic name is 6-(aminomethyl)-1,2-benzoxazol-3-amine. Its molecular formula is C8H9N3O. The product's category is OXAZOLE. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.01; (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): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 78.07 Å2; (11)Index of Refraction: 1.702; (12)Molar Refractivity: 47.174 cm3; (13)Molar Volume: 121.836 cm3; (14)Polarizability: 18.701×10-24cm3; (15)Surface Tension: 68.817 dyne/cm ; (16)Enthalpy of Vaporization: 63.745 kJ/mol ; (17)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NCc1ccc2c(c1)onc2N
(2)InChI: InChI=1/C8H9N3O/c9-4-5-1-2-6-7(3-5)12-11-8(6)10/h1-3H,4,9H2,(H2,10,11)
(3)InChIKey: GHYKJSGZYRADNG-UHFFFAOYAV