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| CAS No.: | 910036-92-9 |
|---|---|
| Name: | 3-Pyrimidin-2-ylbenzylamine |
| Molecular Structure: | |
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|
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| Formula: | C11H11N3 |
| Molecular Weight: | 185.23 |
| Synonyms: | 3-Pyrimidin-2-ylbenzylamine;3-Pyrimidin-2-ylbenzylamine 97%;(3-(pyriMidin-2-yl)phenyl)MethanaMine |
| Density: | 1.149 g/cm3 |
| Boiling Point: | 270.2 °C at 760 mmHg |
| Flash Point: | 141.5 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 25 |
| Safety: | 45 |
| PSA: | 51.80000 |
| LogP: | 2.30260 |
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- Total:6 Page 1 of 1 1
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Specification
This chemical is called 3-Pyrimidin-2-ylbenzylamine, and its systematic name is (3-pyrimidin-2-ylphenyl)methanamine. With the molecular formula of C11H11N3, its molecular weight is 185.23. The CAS registry number of this chemical is 910036-92-9.
Other characteristics of the 3-Pyrimidin-2-ylbenzylamine can be summarised as followings: (1)ACD/LogP: 1.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 51.8 Å2; (7)Index of Refraction: 1.604; (8)Molar Refractivity: 55.47 cm3; (9)Molar Volume: 161.1 cm3; (10)Polarizability: 21.99×10-24cm3; (11)Surface Tension: 52.9 dyne/cm; (12)Density: 1.149 g/cm3; (13)Flash Point: 141.5 °C; (14)Enthalpy of Vaporization: 50.84 kJ/mol; (15)Boiling Point: 270.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00692 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1cc(cc(c1)c2ncccn2)CN
2.InChI: InChI=1/C11H11N3/c12-8-9-3-1-4-10(7-9)11-13-5-2-6-14-11/h1-7H,8,12H2
3.InChIKey: MXSXDKVANPZCBQ-UHFFFAOYAH