4-(propan-2-yl)benzene-1-carboximidamide hydrochloride

• ChemBase ID: 268907
• Molecular Formular: C10H15ClN2
• Molecular Mass: 198.6925
• Monoisotopic Mass: 198.09237617
• SMILES: C(=N)(c1ccc(cc1)C(C)C)N.Cl
• Canonical SMILES: CC(c1ccc(cc1)C(=N)N)C.Cl
• InChI: InChI=1S/C10H14N2.ClH/c1-7(2)8-3-5-9(6-4-8)10(11)12;/h3-7H,1-2H3,(H3,11,12);1H
• InChIKey: ASVYZIHEPFWIDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(propan-2-yl)benzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 4-isopropylbenzenecarboximidamide hydrochloride
• Synonyms: 4-(propan-2-yl)benzene-1-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD16817452
• PubChem SID: 164324817
• PubChem CID: 50988078

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.27667397
• LogD (pH = 7.4): -0.27188736
• Log P: 2.1387234
• Molar Refractivity: 61.9213 cm^3
• Polarizability: 19.485588 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.072

Product Information

• Purity: 95%