5-(dimethylamino)pyridine-2-carboximidamide

• ChemBase ID: 239376
• Molecular Formular: C8H12N4
• Molecular Mass: 164.20768
• Monoisotopic Mass: 164.1061964
• SMILES: n1c(C(=N)N)ccc(c1)N(C)C
• Canonical SMILES: CN(c1ccc(nc1)C(=N)N)C
• InChI: InChI=1S/C8H12N4/c1-12(2)6-3-4-7(8(9)10)11-5-6/h3-5H,1-2H3,(H3,9,10)
• InChIKey: JUQCMVOAADFKGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(dimethylamino)pyridine-2-carboximidamide
• IUPAC Traditional name: 5-(dimethylamino)pyridine-2-carboximidamide
• Synonyms: 5-(dimethylamino)pyridine-2-carboximidamide

Database IDs

• MDL Number: MFCD22578439
• PubChem SID: 164295286
• PubChem CID: 67776568

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.2407007
• LogD (pH = 7.4): -1.9705117
• Log P: 0.16993605
• Molar Refractivity: 59.6302 cm^3
• Polarizability: 17.946264 Å^3
• Polar Surface Area: 66.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.387

Product Information

• Purity: 95%