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CAS No.: | 886851-49-6 |
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Name: | n-methyl-3-pyrimidin-2-ylbenzylamine |
Molecular Structure: | |
Formula: | C12H13N3 |
Molecular Weight: | 199.25172 |
Synonyms: | n-methyl-3-pyrimidin-2-ylbenzylamine;Benzenemethanamine, N-methyl-3-(2-pyrimidinyl)- (9CI);N-Methyl-3-pyrimidin-2-ylbenzylamine 97%;N-[3-(Pyrimidin-2-yl)benzyl]methylamine, 2-{3-[(Methylamino)methyl]phenyl}pyrimidine |
Density: | 1.089 g/cm3 |
Boiling Point: | 264.3 °C at 760 mmHg |
Flash Point: | 113.6 °C |
Hazard Symbols: | C |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 37.81000 |
LogP: | 2.25390 |
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The Benzenemethanamine,N-methyl-3-(2-pyrimidinyl)-, with CAS registry number 886851-49-6, belongs to the following product category: Quinazoline. It has the systematic name of N-methyl-1-(3-pyrimidin-2-ylphenyl)methanamine. Besides this, it is also called n-methyl-3-pyrimidin-2-ylbenzylamine. And the chemical formula of this chemical is C12H13N3.
Physical properties of Benzenemethanamine,N-methyl-3-(2-pyrimidinyl)-: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 37.81 Å2; (7)Index of Refraction: 1.572; (8)Molar Refractivity: 60.17 cm3; (9)Molar Volume: 182.7 cm3; (10)Polarizability: 23.85×10-24cm3; (11)Surface Tension: 45 dyne/cm; (12)Density: 1.089 g/cm3; (13)Flash Point: 113.6 °C; (14)Enthalpy of Vaporization: 50.22 kJ/mol; (15)Boiling Point: 264.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00979 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CNCc1cccc(c1)c2ncccn2
(2)InChI: InChI=1/C12H13N3/c1-13-9-10-4-2-5-11(8-10)12-14-6-3-7-15-12/h2-8,13H,9H2,1H3
(3)InChIKey: AHOVMAYXXRVWIS-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C12H13N3/c1-13-9-10-4-2-5-11(8-10)12-14-6-3-7-15-12/h2-8,13H,9H2,1H3
(5)Std. InChIKey: AHOVMAYXXRVWIS-UHFFFAOYSA-N