Products Categories
CAS No.: | 1020719-00-9 |
---|---|
Name: | 3-(Aminomethyl)pyridine-2,4,5,6-D4 |
Molecular Structure: | |
Formula: | 6H4D4N2 |
Molecular Weight: | 112.17 |
Synonyms: | (2,4,5,6-Tetradeuterio-3-pyridyl)methanamine; |
Density: | 1.093 g/cm3 |
Boiling Point: | 225.999 °C at 760 mmHg |
Flash Point: | 100.556 °C |
PSA: | 38.91000 |
LogP: | 1.24060 |
What can I do for you?
Get Best Price
The CAS registry number of 3-(Aminomethyl)pyridine-2,4,5,6-D4 is 1020719-00-9. The systematic name is (2,4,5,6-tetradeuterio-3-pyridyl)methanamine. In addition, the molecular formula is C6H4D4N2 and the molecular weight is 112.17. It is a kind of yellow oil and belongs to the classes of Bases & Related Reagents; Isotope Labeled Compounds; Nucleotides.
Physical properties about 3-(Aminomethyl)pyridine-2,4,5,6-D4 are: (1)# of Rule of 5 Violations: 0 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1.583; (6)#H bond acceptors: 2; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 38.91 Å2; (10)Index of Refraction: 1.552; (11)Molar Refractivity: 32.796 cm3; (12)Molar Volume: 102.645 cm3; (13)Polarizability: 13.001 ×10-24cm3; (14)Surface Tension: 45.966 dyne/cm; (15)Density: 1.093 g/cm3; (16)Flash Point: 100.556 °C; (17)Enthalpy of Vaporization: 46.253 kJ/mol; (18)Boiling Point: 225.999 °C at 760 mmHg; (19)Vapour Pressure: 0.084 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c1c(c(c(nc1[2H])[2H])CN)[2H]
(2)InChI: InChI=1/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2/i1D,2D,3D,5D
(3)InChIKey: HDOUGSFASVGDCS-RZIJKAHPEJ