CAS No.69980-24-1,(+/-)-NICOTINE-METHYL-D3 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	69980-24-1
Name:	(+/-)-NICOTINE-METHYL-D3
Article Data:	4

Formula:	C₁₀H₁₁D₃N₂
Molecular Weight:	165.211
Synonyms:	DL-Nicotine-methyl-d₃;
Density:	1.051 g/cm³
Boiling Point:	244.447 °C at 760 mmHg
Flash Point:	101.667 °C
Appearance:	clear colourless oil
Hazard Symbols:	T+
Risk Codes:	26/27/28-36/37/38-63
Safety:	45
Transport Information:	UN 1654
PSA:	16.13000
LogP:	1.78620

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Specification

The Pyridine, 3-[1-(methyl-d₃)-2-pyrrolidinyl]- (9CI), with the CAS registry number 69980-24-1, is also known as DL-Nicotine-methyl-d₃. It belongs to the product categories of Isotope Labeled Compounds; Nicotine Derivatives. This chemical's molecular formula is C₁₀H₁₁D₃N₂ and molecular weight is 165.25. What's more, its systematic name is 3-[1-(²H₃)Methylpyrrolidin-2-yl]pyridine. In addition, it can be used for treatment of smoking withdrawal syndrome.

Physical properties about Pyridine, 3-[1-(methyl-d₃)-2-pyrrolidinyl]- (9CI) are: (1)ACD/LogP: 0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 4; (7)#H bond acceptors: 2; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 16.13 Å²; (11)Index of Refraction: 1.539; (12)Molar Refractivity: 49.257 cm³; (13)Molar Volume: 157.178 cm³; (14)Polarizability: 19.527×10^-24 cm³; (15)Surface Tension: 39.602 dyne/cm; (16)Density: 1.051 g/cm³; (17)Flash Point: 101.667 °C; (18)Enthalpy of Vaporization: 48.15 kJ/mol; (19)Boiling Point: 244.447 °C at 760 mmHg; (20)Vapour Pressure: 0.03 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical is very toxic by inhalation, in contact with skin and if swallowed.Besides, it has possible risk of harm to the unborn child.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])([2H])N2C(c1cnccc1)CCC2
(2) InChI: InChI=1/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/i1D3
(3) InChIKey: SNICXCGAKADSCV-FIBGUPNXEU