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1020719-05-4

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Basic Information
CAS No.: 1020719-05-4
Name: Anabaseine-d4
Molecular Structure:
Molecular Structure of 1020719-05-4 (Anabaseine-d4)
Formula: C10H8D4N2
Molecular Weight: 164.24
Synonyms: Anabaseine-d4
Density: 1.126 g/cm3
Boiling Point: 263.88 °C at 760 mmHg
Flash Point: 113.391 °C
PSA: 25.25000
LogP: 1.49020
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Specification

The Anabaseine-d4 has CAS registry number 1020719-05-4. This chemical's molecular formula is C10H8D4N2 and molecular weight is 164.24. What's more, its systematic name is 2,3,4,6-tetradeuterio-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridine.

Physical properties of Anabaseine-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): 4.743; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 25.25 Å2; (10)Index of Refraction: 1.596; (11)Molar Refractivity: 49.639 cm3; (12)Molar Volume: 145.845 cm3; (13)Polarizability: 19.678×10-24cm3; (14)Surface Tension: 41.588 dyne/cm; (15)Density: 1.126 g/cm3; (16)Flash Point: 113.391 °C; (17)Enthalpy of Vaporization: 48.15 kJ/mol; (18)Boiling Point: 263.88 °C at 760 mmHg; (19)Vapour Pressure: 0.016 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c1c(c(c(nc1[2H])[2H])C2=NCCCC2)[2H]
(2)Std. InChI: InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8H,1-2,5,7H2/i3D,4D,6D,8D
(3)Std. InChIKey: AUBPMADJYNSPOA-AJEVBKBKSA-N