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| CAS No.: | 2820-51-1 |
|---|---|
| Name: | Nicotine hydrochloride |
| Molecular Structure: | |
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|
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| Formula: | C10H14 N2 . x Cl H |
| Molecular Weight: | 235.156 |
| Synonyms: | Nicotine,hydrochloride (8CI); Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, hydrochloride, (S)-;Pyridine, 3-[(2S)-1-methyl-2-pyrrolidinyl]-, hydrochloride (9CI) |
| Boiling Point: | 244.4°C at 760 mmHg |
| Flash Point: | 101.7°C |
| Safety: | Poison by intravenous, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and CO. See also NICOTINE. |
| PSA: | 16.13000 |
| LogP: | 2.58820 |
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Chemistry
Molecule structure of Nicotine hydrochloride (CAS NO.2820-51-1) :
IUPAC Name: 3-[(2S)-1-methylpyrrolidin-2-yl]pyridine hydrochloride
Molecular Weight: 198.6925 g/mol
Molecular Formula: C10H15ClN2
Boiling Point: 244.4 °C at 760 mmHg
Flash Point: 101.7 °C
Appreance: white crystalline solid
Water Solubility: soluble in water
Enthalpy of Vaporization: 48.15 kJ/mol
Vapour Pressure: 0.0303 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Exact Mass: 198.092376
MonoIsotopic Mass: 198.092376
Topological Polar Surface Area: 16.1
Heavy Atom Count: 13
Complexity: 147
Defined Atom StereoCenter Count: 1
Canonical SMILES: CN1CCCC1C2=CN=CC=C2.Cl
Isomeric SMILES: CN1CCC[C@H]1C2=CN=CC=C2.Cl
InChI: InChI=1S/C10H14N2.ClH/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;/h2,4,6,8,10H,3,5,7H2,1H3;1H/t10-;/m0./s1
InChIKey: HDJBTCAJIMNXEW-PPHPATTJSA-N
Toxicity Data With Reference
| 1. | ipr-mus LD50:13,500 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 223 (1976),132. | ||
| 2. | scu-mus LD50:31,900 µg/kg | BAFEAG Bulletin de lAssociation Francaise pour lEtude du Cancer. 44 (1957),426. | ||
| 3. | ivn-rbt LDLo:6500 µg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 77 (1943),343. | ||
| 4. | ipr-gpg LDLo:32 mg/kg | AJEBAK Australian Journal of Experimental Biology and Medical Science. 25 (1947),83. |
Safety Profile
Poison by intravenous, subcutaneous, and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and CO. See also NICOTINE.
RIDADR: 1656
HazardClass: 6.1(a)
PackingGroup: II
Standards and Recommendations
DOT Classification: 6.1; Label: Poison
Specification
Nicotine hydrochloride (CAS NO.2820-51-1) is also called Chlorhydrate de nicotine [French] ; HSDB 1261 ; Nicotine HCl ; Nicotine hydrochloride (d,l) ; Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, hydrochloride, (S)- . Nicotine hydrochloride (CAS NO.2820-51-1) is combustible, although ignition may be difficult. Produces toxic oxides of nitrogen during combustion.The chloride salt of nicotine-An alkaloid produced from tobacco. When heated to decomposition Nicotine hydrochloride (CAS NO.2820-51-1) emits very toxic fumes of carbon monoxide and oxides of nitrogen. Nicotine hydrochloride (CAS NO.2820-51-1) is highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Containers may explode when heated. Runoff may pollute waterways.