2-(4,5-dimethyl-1H-imidazol-1-yl)ethan-1-amine

• ChemBase ID: 309778
• Molecular Formular: C7H13N3
• Molecular Mass: 139.19822
• Monoisotopic Mass: 139.11094743
• SMILES: n1cn(c(c1C)C)CCN
• Canonical SMILES: Cc1c(C)ncn1CCN
• InChI: InChI=1S/C7H13N3/c1-6-7(2)10(4-3-8)5-9-6/h5H,3-4,8H2,1-2H3
• InChIKey: BSBQVAZPNNEYRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,5-dimethyl-1H-imidazol-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4,5-dimethylimidazol-1-yl)ethanamine
• Synonyms: 2-(4,5-dimethyl-1H-imidazol-1-yl)ethanamine

Database IDs

• MDL Number: MFCD16789572

CALCULATED PROPERTIES

• Molar Refractivity: 41.6005 cm^3
• Polarizability: 15.797159 Å^3
• Polar Surface Area: 43.84 Å^2
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.3526754
• LogD (pH = 7.4): -2.7670321
• Log P: -0.38760045