6-Benzoxazolamine,2-(4-aminophenyl)- supplier

Name
2-(4-AMINOPHENYL)-6-AMINOBENZOXAZOLE
EINECS
CAS No. 16363-53-4
Article Data2
CAS DataBase
Density 1.329 g/cm³
Solubility
Melting Point 194-195 °C
Formula C₁₃H₁₁N₃O
Boiling Point 435.2 °C at 760 mmHg
Molecular Weight 225.25
Flash Point 217 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(4-Aminophenyl)benzo[d]oxazol-6-amine;6-Amino-2-(4-aminophenyl)benzoxazole;6-Amino-2-(p-aminophenyl)benzoxazole;Benzoxazole,6-amino-2-(p-aminophenyl)- (8CI);
PSA 78.07000
LogP 3.82160

6-Benzoxazolamine,2-(4-aminophenyl)- Specification

This product is an organic compound with the formula C₁₃H₁₁N₃O. The IUPAC name of this chemical is 2-(4-Aminophenyl)-1,3-benzoxazol-6-amine. With the CAS registry number 16363-53-4, it is also named as 6-Amino-2-(4-aminophenyl)benzoxazole. In addition, the molecular weight is 225.24594. It belongs to the product categories of Chemical Amines; Heterocycles.

Physical properties about this chemical are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.46; (6)ACD/BCF (pH 7.4): 18.55; (7)ACD/KOC (pH 5.5): 280.18; (8)ACD/KOC (pH 7.4): 281.5; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.729; (13)Molar Refractivity: 67.55 cm³; (14)Molar Volume: 169.4 cm³; (15)Surface Tension: 66.7 dyne/cm; (16)Density: 1.329 g/cm³; (17)Flash Point: 217 °C; (18)Enthalpy of Vaporization: 69.15 kJ/mol; (19)Boiling Point: 435.2 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c3ccc(cc3oc1c2ccc(N)cc2)N
(2)InChI: InChI=1/C13H11N3O/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2
(3)InChIKey: IBKFNGCWUPNUHY-UHFFFAOYAJ

Product Name

2-(4-AMINOPHENYL)-6-AMINOBENZOXAZOLE

6-Benzoxazolamine,2-(4-aminophenyl)- Specification

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