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(-)-Nicotine Hydrogen (+)-Tartrate
CAS: 65-31-6 | C14H20N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
65-31-6
Molecular Formula:
C14H20N2O6
Molecular Mass:
312.32 g/mol
Names and Synonyms:
(-)-Nicotine Hydrogen (+)-Tartrate
Pyridine, 3-[(2S)-1-methyl-2-pyrrolidinyl]-, (2R,3R)-2,3-dihydroxybutanedioate (1:2)
Nicotine, tartrate (1:2)
Pyridine, 3-(1-methyl-2-pyrrolidinyl)-, (S)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:2)
Nicotine acid tartrate
Nicotine bitartrate
Nicotine hydrogen tartrate
Nicotine tartrate
(-)-Nicotine hydrogen (+)-tartrate
Nicotine hydrogen (+)-tartrate
S-(-)-Nicotine hydrogen-(+)-tartrate
NSC 97238
(-)-Nicotine ditartrate
NP002
Identifiers:
SMILES:
CN1CCC[C@H]1c1cccnc1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChI:
InChI=1S/C10H14N2.C4H6O6/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;5-1(3(7)8)2(6)4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t10-;1-,2-/m01/s1
Key Properties
Melting Point
89 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 312.32 g/mol | CAS Common Chemistry |
| 312.32200000000006 g/mol | RDKit | |
| 312.13213635999995 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(O)C(O)C(=O)O.N=1C=CC=C(C1)C2N(C)CCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H14N2.C4H6O6/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;5-1(3(7)8)2(6)4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t10-;1-,2-/m01/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QLDPCHZQQIASHX-LDGFUSNJSA-N | CAS Common Chemistry |
| Melting Point | 89 °C | CAS Common Chemistry |
| Name | (-)-Nicotine hydrogen (+)-tartrate | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 131.19 Ų | RDKit |
| LogP | -0.2742999999999998 | RDKit |
| Molar Refractivity | 76.12720000000003 | RDKit |
