2-cyclohexylethanimidamide hydrochloride

• ChemBase ID: 262080
• Molecular Formular: C8H17ClN2
• Molecular Mass: 176.68698
• Monoisotopic Mass: 176.10802623
• SMILES: C(=N)(CC1CCCCC1)N.Cl
• Canonical SMILES: NC(=N)CC1CCCCC1.Cl
• InChI: InChI=1S/C8H16N2.ClH/c9-8(10)6-7-4-2-1-3-5-7;/h7H,1-6H2,(H3,9,10);1H
• InChIKey: OLYNMIRXZNPOET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexylethanimidamide hydrochloride
• IUPAC Traditional name: 2-cyclohexylethanimidamide hydrochloride
• Synonyms: 2-cyclohexylethanimidamide hydrochloride

Database IDs

• MDL Number: MFCD09260691
• PubChem SID: 164317990
• PubChem CID: 42614710

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0738097
• LogD (pH = 7.4): -1.0733789
• Log P: 1.3416436
• Molar Refractivity: 52.8373 cm^3
• Polarizability: 16.600618 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 267 - 269°C
• Hydrophobicity(logP): 1.426

Product Information

• Purity: 95%