4-azatricyclo[4.3.1.13,8]undecane hydrochloride

• ChemBase ID: 144008
• Molecular Formular: C10H18ClN
• Molecular Mass: 187.70962
• Monoisotopic Mass: 187.11277726
• SMILES: C1C2CC3CC1CC(C2)NC3.Cl
• Canonical SMILES: C1NC2CC3CC1CC(C2)C3.Cl
• InChI: InChI=1S/C10H17N.ClH/c1-7-2-9-3-8(1)5-10(4-7)11-6-9;/h7-11H,1-6H2;1H
• InChIKey: AAUZOWODHWUJKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-azatricyclo[4.3.1.1^3,^8]undecane hydrochloride
• IUPAC Traditional name: 4-azatricyclo[4.3.1.1^3,^8]undecane hydrochloride
• Synonyms: 4-Azatricyclo[4.3.1.1(3,8)]undecane hydrochloride; 4-azatricyclo[4.3.1.1^{3,8}]undecane hydrochloride

Database IDs

• MDL Number: MFCD01665242; MFCD11841209
• PubChem SID: 162238225
• PubChem CID: 32271

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6304983
• LogD (pH = 7.4): -1.4243109
• Log P: 1.6081443
• Molar Refractivity: 45.7426 cm^3
• Polarizability: 18.504875 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.382

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C10H18ClN

DETAILS

Sigma Aldrich - CBR00756

Other Notes
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Legal Information
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