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66148-18-3

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Basic Information
CAS No.: 66148-18-3
Name: NORNICOTINE-2,4,5,6-D4 (PYRIDINE-D4)
Article Data: 3
Molecular Structure:
Molecular Structure of 66148-18-3 (NORNICOTINE-2,4,5,6-D4 (PYRIDINE-D4))
Formula: C9H8D4N2
Molecular Weight: 152.176
Synonyms: Pyridine-2,3,4,6-d4,5-(2-pyrrolidinyl)-, (?à)-;
EINECS: 200-659-6
Density: 1.071 g/cm3
Boiling Point: 269.999 °C at 760 mmHg
Flash Point: 111.291 °C
Appearance: colourless oil
Hazard Symbols: F,T
Risk Codes: 11-23/24/25-39/23/24/25
Safety: 7-16-36/37-45
PSA: 24.92000
LogP: 1.83490
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Specification

The Pyridine-2,3,4,6-d4,5-(2-pyrrolidinyl)- (9CI), with the CAS registry number 66148-18-3, is also known as (±)-Nornicotine-2,4,5,6-d4 (pyridine-d4). It belongs to the product category of Nicotine Derivatives. This chemical's molecular formula is C9H8D4N2 and molecular weight is 152.2296. Its systematic name is called 2,3,4,6-tetradeuterio-5-pyrrolidin-2-yl-pyridine. This chemical is colourless oil.

Physical properties of Pyridine-2,3,4,6-d4,5-(2-pyrrolidinyl)- (9CI): (1)ACD/LogP: 0.68; (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; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.536; (10)Molar Refractivity: 44.33 cm3; (11)Molar Volume: 142.157 cm3; (12)Surface Tension: 41.366 dyne/cm; (13)Density: 1.071 g/cm3; (14)Flash Point: 111.291 °C; (15)Enthalpy of Vaporization: 50.816 kJ/mol; (16)Boiling Point: 269.999 °C at 760 mmHg; (17)Vapour Pressure: 0.007 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c1c(c(c(nc1[2H])[2H])C2CCCN2)[2H]
(2)InChI: InChI=1/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/i1D,3D,5D,7D
(3)InChIKey: MYKUKUCHPMASKF-DNZPNURCEW