tricyclo[5.2.1.02,6]decan-8-amine hydrochloride

• ChemBase ID: 255230
• Molecular Formular: C10H18ClN
• Molecular Mass: 187.70962
• Monoisotopic Mass: 187.11277726
• SMILES: C12C3C(C(C1)CC2N)CCC3.Cl
• Canonical SMILES: NC1CC2CC1C1C2CCC1.Cl
• InChI: InChI=1S/C10H17N.ClH/c11-10-5-6-4-9(10)8-3-1-2-7(6)8;/h6-10H,1-5,11H2;1H
• InChIKey: QGRWSZVUZQUJGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tricyclo[5.2.1.0^2,^6]decan-8-amine hydrochloride
• IUPAC Traditional name: tricyclo[5.2.1.0^2,^6]decan-8-amine hydrochloride
• Synonyms: tricyclo[5.2.1.0~2,6~]dec-8-ylamine hydrochloride

Database IDs

• MDL Number: MFCD09971494
• PubChem SID: 164311140
• PubChem CID: 12317867

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5558008
• LogD (pH = 7.4): -1.2807367
• Log P: 1.4723899
• Molar Refractivity: 45.446 cm^3
• Polarizability: 18.504875 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 299 - 301°C
• Hydrophobicity(logP): 1.995

Product Information

• Purity: 95%