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