2-(2,3-dihydro-1H-indol-1-yl)ethanimidamide dihydrochloride

• ChemBase ID: 236997
• Molecular Formular: C10H15Cl2N3
• Molecular Mass: 248.1522
• Monoisotopic Mass: 247.06430286
• SMILES: N1(c2c(CC1)cccc2)CC(=N)N.Cl.Cl
• Canonical SMILES: NC(=N)CN1CCc2c1cccc2.Cl.Cl
• InChI: InChI=1S/C10H13N3.2ClH/c11-10(12)7-13-6-5-8-3-1-2-4-9(8)13;;/h1-4H,5-7H2,(H3,11,12);2*1H
• InChIKey: WHDCFDGOTWCDDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-indol-1-yl)ethanimidamide dihydrochloride
• IUPAC Traditional name: 2-(2,3-dihydroindol-1-yl)ethanimidamide dihydrochloride
• Synonyms: 2-(2,3-dihydro-1H-indol-1-yl)ethanimidamide dihydrochloride

Database IDs

• MDL Number: MFCD22369874
• PubChem SID: 164292907
• PubChem CID: 71755835

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.553223
• LogD (pH = 7.4): -1.538665
• Log P: 0.8620471
• Molar Refractivity: 64.2971 cm^3
• Polarizability: 19.889954 Å^3
• Polar Surface Area: 53.11 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.145

Product Information

• Purity: 95%