(1R,2R,9R,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

• ChemBase ID: 294558
• Molecular Formular: C15H26N2
• Molecular Mass: 234.38034
• Monoisotopic Mass: 234.20959884
• SMILES: [C@@H]12C[C@@H](CN3[C@@H]1CCCC3)[C@@H]1CCCCN1C2
• Canonical SMILES: C1CC[C@@H]2N(C1)C[C@@H]1C[C@H]2CN2[C@@H]1CCCC2
• 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+
• InChIKey: SLRCCWJSBJZJBV-ZMYVRHLSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R,9R,10S)-7,15-diazatetracyclo[7.7.1.0^2,^7.0^1^0,^1^5]heptadecane
• IUPAC Traditional name: L-sparteine
• Synonyms: (+)-Sparteine

Database IDs

• CAS Number: 492-08-0
• PubChem SID: 180680089
• PubChem CID: 7014

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -3.3671618
• LogD (pH = 7.4): -0.38936847
• Log P: 2.0278275
• Molar Refractivity: 71.823 cm^3
• Polarizability: 28.518066 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%