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CAS No.: | 885466-44-4 |
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Name: | 4-Pyrimidin-2-ylbenzylamine |
Molecular Structure: | |
Formula: | C11H11N3 |
Molecular Weight: | 185.22514 |
Synonyms: | 4-Pyrimidin-2-ylbenzylamine;4-Pyrimidin-2-ylbenzylamine 95%;2-[4-(Aminomethyl)phenyl]pyrimidine, [4-(Pyrimidin-2-yl)phenyl]methylamine;[4-(Pyrimidin-2-yl)phenyl]methylamine, 2-[4-(Aminomethyl)phenyl]pyrimidine;4-(Pyrimidin-2-yl)benzylamine 95+% |
Density: | 1.149 g/cm3 |
Boiling Point: | 258.9 °C at 760 mmHg |
Flash Point: | 134.2 °C |
Hazard Symbols: | C |
PSA: | 51.80000 |
LogP: | 2.30260 |
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The Benzenemethanamine,4-(2-pyrimidinyl)-, with CAS registry number 885466-44-4, has the systematic name of (4-pyrimidin-2-ylphenyl)methanamine. Besides this, it is also called 4-Pyrimidin-2-ylbenzylamine. And the chemical formula of this chemical is C11H11N3.
Physical properties of Benzenemethanamine,4-(2-pyrimidinyl)-: (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: 134.2 °C; (14)Enthalpy of Vaporization: 49.66 kJ/mol; (15)Boiling Point: 258.9 °C at 760 mmHg; (16)Vapour Pressure: 0.0133 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc(nc1)c2ccc(cc2)CN
(2)InChI: InChI=1/C11H11N3/c12-8-9-2-4-10(5-3-9)11-13-6-1-7-14-11/h1-7H,8,12H2
(3)InChIKey: NCQYEJBFHRMHKN-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C11H11N3/c12-8-9-2-4-10(5-3-9)11-13-6-1-7-14-11/h1-7H,8,12H2
(5)Std. InChIKey: NCQYEJBFHRMHKN-UHFFFAOYSA-N