4-(2,3-dihydro-1H-indol-1-yl)benzene-1-carboximidamide hydrochloride

• ChemBase ID: 266873
• Molecular Formular: C15H16ClN3
• Molecular Mass: 273.76064
• Monoisotopic Mass: 273.10327521
• SMILES: N1(c2c(CC1)cccc2)c1ccc(C(=N)N)cc1.Cl
• Canonical SMILES: NC(=N)c1ccc(cc1)N1CCc2c1cccc2.Cl
• InChI: InChI=1S/C15H15N3.ClH/c16-15(17)12-5-7-13(8-6-12)18-10-9-11-3-1-2-4-14(11)18;/h1-8H,9-10H2,(H3,16,17);1H
• InChIKey: ABINXTOECHWQJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,3-dihydro-1H-indol-1-yl)benzene-1-carboximidamide hydrochloride
• IUPAC Traditional name: 4-(2,3-dihydroindol-1-yl)benzenecarboximidamide hydrochloride
• Synonyms: 4-(2,3-dihydro-1H-indol-1-yl)benzene-1-carboximidamide hydrochloride

Database IDs

• MDL Number: MFCD16040081
• PubChem SID: 164322783
• PubChem CID: 47002856

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.18176413
• LogD (pH = 7.4): 0.18324934
• Log P: 2.5972047
• Molar Refractivity: 84.423 cm^3
• Polarizability: 27.646925 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 244 - 246°C
• Hydrophobicity(logP): 2.895

Product Information

• Purity: 95%