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13676-48-7

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Basic Information
CAS No.: 13676-48-7
Name: 5-Amino-2-(3-aminophenyl)benzoxazole
Article Data: 4
Molecular Structure:
Molecular Structure of 13676-48-7 (5-Amino-2-(3-aminophenyl)benzoxazole)
Formula: C13H11N3O
Molecular Weight: 225.25
Synonyms: Benzoxazole,5-amino-2-(m-aminophenyl)- (7CI,8CI);5-Amino-2-(m-aminophenyl)benzoxazole;2-(3-Aminophenyl)-1,3-benzoxazol-5-amine;
Density: 1.329 g/cm3
Boiling Point: 450 °C at 760 mmHg
Flash Point: 225.9 °C
PSA: 78.07000
LogP: 3.82160
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Specification

The CAS registry number of 5-Benzoxazolamine,2-(3-aminophenyl)- is 13676-48-7. The systematic name is 2-(3-aminophenyl)-1,3-benzoxazol-5-amine. In addition, the molecular formula is C13H11N3O and the molecular weight is 225.25. It belongs to the classes of Chemical Amines; Amines; Aromatics; Heterocycles and should be stored in a cool and dry place.

Physical properties about 5-Benzoxazolamine,2-(3-aminophenyl)- are: (1)ACD/LogP: 1.76; (2)#H bond acceptors: 4; (3)#H bond donors: 4; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 32.51 Å2; (6)Index of Refraction: 1.729; (7)Molar Refractivity: 67.55 cm3; (8)Molar Volume: 169.4 cm3; (9)Polarizability: 26.77 ×10-24cm3; (10)Surface Tension: 66.7 dyne/cm; (11)Density: 1.329 g/cm3; (12)Flash Point: 225.9 °C; (13)Enthalpy of Vaporization: 70.88 kJ/mol; (14)Boiling Point: 450 °C at 760 mmHg; (15)Vapour Pressure: 2.74E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c3cc(ccc3oc1c2cccc(N)c2)N
(2)InChI: InChI=1/C13H11N3O/c14-9-3-1-2-8(6-9)13-16-11-7-10(15)4-5-12(11)17-13/h1-7H,14-15H2
(3)InChIKey: IKSUMZCUHPMCQV-UHFFFAOYAR