3-(cyclohexyloxy)benzene-1-carboximidamide hydrochloride

• ChemBase ID: 265490
• Molecular Formular: C13H19ClN2O
• Molecular Mass: 254.75576
• Monoisotopic Mass: 254.11859092
• SMILES: C(=N)(c1cc(OC2CCCCC2)ccc1)N.Cl
• Canonical SMILES: NC(=N)c1cccc(c1)OC1CCCCC1.Cl
• InChI: InChI=1S/C13H18N2O.ClH/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11;/h4-5,8-9,11H,1-3,6-7H2,(H3,14,15);1H
• InChIKey: FPMUHBKHXJLNFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclohexyloxy)benzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 3-(cyclohexyloxy)benzenecarboximidamide hydrochloride
• Synonyms: 3-(cyclohexyloxy)benzene-1-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD14705768
• PubChem SID: 164321400
• PubChem CID: 47002419

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.12010234
• LogD (pH = 7.4): 0.13909096
• Log P: 2.5353136
• Molar Refractivity: 75.2079 cm^3
• Polarizability: 25.018297 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.739

Product Information

• Purity: 95%