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3-(Aminomethyl)pyridine-2,4,5,6-D4

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Name

3-(Aminomethyl)pyridine-2,4,5,6-D4

EINECS N/A
CAS No. 1020719-00-9 Density 1.093 g/cm3
PSA 38.91000 LogP 1.24060
Solubility N/A Melting Point N/A
Formula 6H4D4N2 Boiling Point 225.999 °C at 760 mmHg
Molecular Weight 112.17 Flash Point 100.556 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1020719-00-9 (3-(Aminomethyl)pyridine-2,4,5,6-D4) Hazard Symbols N/A
Synonyms

(2,4,5,6-Tetradeuterio-3-pyridyl)methanamine;

 

3-(Aminomethyl)pyridine-2,4,5,6-D4 Specification

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

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