(1,5-dimethyl-1H-imidazol-2-yl)methanamine

• ChemBase ID: 814405
• Molecular Formular: C6H11N3
• Molecular Mass: 125.17164
• Monoisotopic Mass: 125.09529737
• SMILES: C(N)c1n(c(cn1)C)C
• Canonical SMILES: Cn1c(CN)ncc1C
• InChI: InChI=1S/C6H11N3/c1-5-4-8-6(3-7)9(5)2/h4H,3,7H2,1-2H3
• InChIKey: UDZOHRPWUVRHGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,5-dimethyl-1H-imidazol-2-yl)methanamine
• IUPAC Traditional name: (1,5-dimethylimidazol-2-yl)methanamine
• Synonyms: (1,5-dimethyl-1H-imidazol-2-yl)methanamine

Database IDs

• CAS Number: 1196154-36-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9261918
• LogD (pH = 7.4): -1.3509138
• Log P: -0.5230519
• Molar Refractivity: 36.8596 cm^3
• Polarizability: 14.029836 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%