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(-) -Nicotine ditartrate

CAT: 0024-sc-203161ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-203161ASize:5 g
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CAS Number
65-31-6

Chemical Information

(-)-Nicotine hydrogen (+)-tartrate

Nicotine tartrate appears as a reddish white crystalline solid. Combustible. Toxic by inhalation (dust, etc.) and may be toxic by skin absorption. Produces toxic oxides of nitrogen during combustion.

CAS Number65-31-6
PubChem CID11957628
IUPAC Namebis((2R,3R)-2,3-dihydroxybutanedioic acid);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
Molecular FormulaC18H26N2O12
Molecular Weight462.4
Topological Polar Surface Area246
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity281
SMILES
CN1CCC[C@H]1C2=CN=CC=C2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C10H14N2.2C4H6O6/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*5-1(3(7)8)2(6)4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;2*1-2,5-6H,(H,7,8)(H,9,10)/t10-;2*1-,2-/m011/s1
InChIKey
RFEJUZJILGIRHQ-OMDKHLBYSA-N
Chemical Structure
2D Structure
2D structure of (-)-Nicotine hydrogen (+)-tartrate
CAS: 65-31-6
CID: 11957628
Formula: C18H26N2O12
MW: 462.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count7
Exact Mass462.14857427
Monoisotopic Mass462.14857427
Topological Polar Surface Area246 Ų
Heavy Atom Count32
Formal Charge0
Complexity281
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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