3-(cyclohexyloxy)propanimidamide hydrochloride

• ChemBase ID: 263654
• Molecular Formular: C9H19ClN2O
• Molecular Mass: 206.71296
• Monoisotopic Mass: 206.11859092
• SMILES: C(=N)(CCOC1CCCCC1)N.Cl
• Canonical SMILES: NC(=N)CCOC1CCCCC1.Cl
• InChI: InChI=1S/C9H18N2O.ClH/c10-9(11)6-7-12-8-4-2-1-3-5-8;/h8H,1-7H2,(H3,10,11);1H
• InChIKey: LSGFMCLBRCOJGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclohexyloxy)propanimidamide hydrochloride
• IUPAC Traditional name: 3-(cyclohexyloxy)propanimidamide hydrochloride
• Synonyms: 3-(cyclohexyloxy)propanimidamide hydrochloride

Database IDs

• MDL Number: MFCD13196145
• PubChem SID: 164319564
• PubChem CID: 45792394

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.5137396
• LogD (pH = 7.4): -1.5123616
• Log P: 0.90170157
• Molar Refractivity: 59.227 cm^3
• Polarizability: 19.132324 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154 - 156°C
• Hydrophobicity(logP): 0.944

Product Information

• Purity: 95%