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Molecule
Sparteine
CAS: 90-39-1 · C15H26N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 90-39-1
- Molecular Formula
- C15H26N2
- Molecular Mass
- 234.39 g/mol
Identifiers
CAS Registry Number
90-39-1
SMILES
C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]2C1
InChI Key
SLRCCWJSBJZJBV-ZQDZILKHSA-N
InChI
InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1
Names and Synonyms
- Sparteine Synonym
- 7,14-Methano-2H,6H-dipyrido[1,2-a:1′,2′-e][1,5]diazocine, dodecahydro-, (7S,7aR,14S,14aS)- Synonym
- Sparteine Synonym
- 7,14-Methano-2H,6H-dipyrido[1,2-a:1′,2′-e][1,5]diazocine, dodecahydro-, [7S-(7α,7aα,14α,14aβ)]- Synonym
- (7S,7aR,14S,14aS)-Dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1′,2′-e][1,5]diazocine Synonym
- (-)-Sparteine Synonym
- l-Sparteine Synonym
- 6β,7α,9α,11α-Pachycarpine Synonym
- Spartein Synonym
- Lupinidine Synonym
- Lupinidin Synonym
- L-(-)-Sparteine Synonym
- L-Sparteine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 234.39 g/mol | CAS Common Chemistry |
| 234.38699999999992 g/mol | RDKit | |
| 234.387 g/mol | RDKit | |
| Boiling Point | 325 °C | CAS Common Chemistry |
| Canonical SMILES | N12CCCCC1C3CN4CCCCC4C(C2)C3 | CAS Common Chemistry |
| InChI | InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SLRCCWJSBJZJBV-ZQDZILKHSA-N | CAS Common Chemistry |
| Melting Point | 30.5 °C | CAS Common Chemistry |
| Name | Sparteine | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| 6.02 Ų | chempirical lib | |
| LogP | 2.3451000000000004 | RDKit |
| 2.3451 | RDKit | |
| Molar Refractivity | 70.02100000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 234.20959883199998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 234.39 g/mol. Edit any field — others recompute live.
