4-(2-Pyrimidinyloxy)aniline supplier

Name
4-(2-Pyrimidinyloxy)aniline
EINECS
CAS No. 105130-26-5
Article Data2
CAS DataBase
Density 1.258 g/cm³
Solubility
Melting Point 140-142 °C
Formula C₁₀H₉N₃O
Boiling Point 394.1 °C at 760 mmHg
Molecular Weight 187.201
Flash Point 192.1 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols
Synonyms 4-(2-Pyrimidinyloxy)phenylamine;4-(Pyrimidin-2-yloxy)aniline;
PSA 61.03000
LogP 2.43230

4-(2-Pyrimidinyloxy)aniline Specification

The 4-(2-Pyrimidinyloxy)aniline, with the CAS registry number 105130-26-5, is also known as 4-(2-Pyrimidinyloxy)phenylamine. This chemical's molecular formula is C₁₀H₉N₃O and molecular weight is 187.20. What's more, its systematic name is 4-(Pyrimidin-2-yloxy)aniline.

Physical properties of 4-(2-Pyrimidinyloxy)aniline are: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.34; (5)ACD/BCF (pH 5.5): 1.05; (6)ACD/BCF (pH 7.4): 1.07; (7)ACD/KOC (pH 5.5): 35.81; (8)ACD/KOC (pH 7.4): 36.57; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.25 Å²; (13)Index of Refraction: 1.632; (14)Molar Refractivity: 53.11 cm³; (15)Molar Volume: 148.7 cm³; (16)Polarizability: 21.05×10^-24 cm³; (17)Surface Tension: 59.1 dyne/cm; (18)Density: 1.258 g/cm³; (19)Flash Point: 192.1 °C; (20)Enthalpy of Vaporization: 64.41 kJ/mol; (21)Boiling Point: 394.1 °C at 760 mmHg; (22)Vapour Pressure: 2.03E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(N)cc1)c2ncccn2
(2)InChI: InChI=1/C10H9N3O/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h1-7H,11H2
(3)InChIKey: OYPOTUTZLSXURN-UHFFFAOYAF

Product Name

4-(2-Pyrimidinyloxy)aniline

4-(2-Pyrimidinyloxy)aniline Specification

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