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CAS No.: | 852431-03-9 |
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Name: | N-METHYL-N-(3-PYRIMIDIN-5-YLBENZYL)AMINE |
Molecular Structure: | |
Formula: | C12H13N3 |
Molecular Weight: | 199.25 |
Synonyms: | N-Methyl-3-(5-pyrimidinyl)benzylamine;N-[3-(Pyrimidin-5-yl)benzyl]-N-methylamine; |
Density: | 1.089 g/cm3 |
Boiling Point: | 341.6 °C at 760 mmHg |
Flash Point: | 160.4 °C |
Risk Codes: | 34 |
Safety: | 26-36/37/39 |
PSA: | 37.81000 |
LogP: | 2.25390 |
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The Benzenemethanamine, N-methyl-3-(5-pyrimidinyl)-, with the CAS registry number 852431-03-9, is also known as N-Methyl-N-(3-pyrimidin-5-ylbenzyl)amine. This chemical's molecular formula is C12H13N3 and molecular weight is 199.25. What's more, its systematic name is called N-Methyl-1-(3-pyrimidin-5-ylphenyl)methanamine.
Physical properties about Benzenemethanamine, N-methyl-3-(5-pyrimidinyl)- are: (1) ACD/LogP: 0.73; (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: 29.02 Å2; (7) Index of Refraction: 1.572; (8) Molar Refractivity: 60.17 cm3; (9) Molar Volume: 182.7 cm3; (10) Surface Tension: 45 dyne/cm; (11) Density: 1.089 g/cm3; (12) Flash Point: 160.4 °C; (13) Enthalpy of Vaporization: 58.53 kJ/mol; (14) Boiling Point: 341.6 °C at 760 mmHg; (15) Vapour Pressure: 7.93E-05 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: n2cc(c1cc(ccc1)CNC)cnc2
(2) InChI: InChI=1/C12H13N3/c1-13-6-10-3-2-4-11(5-10)12-7-14-9-15-8-12/h2-5,7-9,13H,6H2,1H3
(3) InChIKey: AKWRDWWCLOUCIB-UHFFFAOYAH