4-methyl-2-(methylimino)imidazolidin-1-amine

• ChemBase ID: 798367
• Molecular Formular: C5H12N4
• Molecular Mass: 128.17558
• Monoisotopic Mass: 128.1061964
• SMILES: N1(C(=NC)NC(C1)C)N
• Canonical SMILES: CN=C1NC(CN1N)C
• InChI: InChI=1S/C5H12N4/c1-4-3-9(6)5(7-2)8-4/h4H,3,6H2,1-2H3,(H,7,8)
• InChIKey: FEZAISOZHTUVLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-(methylimino)imidazolidin-1-amine
• IUPAC Traditional name: 4-methyl-2-(methylimino)imidazolidin-1-amine
• Synonyms: 4-methyl-2-(methylimino)-1-imidazolidinamine

Database IDs

• CAS Number: 738568-41-7

CALCULATED PROPERTIES

• Log P: -0.62046975
• Molar Refractivity: 36.8237 cm^3
• Polarizability: 13.647206 Å^3
• Polar Surface Area: 53.65 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -3.0827262
• LogD (pH = 7.4): -3.0229664

PROPERTIES

Product Information

• Purity: 98%