2-methyl-1-(1-methyl-1H-imidazol-2-yl)propan-1-amine

• ChemBase ID: 57197
• Molecular Formular: C8H15N3
• Molecular Mass: 153.2248
• Monoisotopic Mass: 153.1265975
• SMILES: n1(c(ncc1)C(N)C(C)C)C
• Canonical SMILES: CC(C(c1nccn1C)N)C
• InChI: InChI=1S/C8H15N3/c1-6(2)7(9)8-10-4-5-11(8)3/h4-7H,9H2,1-3H3
• InChIKey: CMVDLQMORGEVAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1-(1-methyl-1H-imidazol-2-yl)propan-1-amine
• IUPAC Traditional name: 2-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
• Synonyms: 2-methyl-1-(1-methyl-1H-imidazol-2-yl)-1-propanamine; [2-Methyl-1-(1-methyl-1H-imidazol-2-yl)propyl]-amine; 2-methyl-1-(1-methyl-1H-imidazol-2-yl)propan-1-amine

Database IDs

• CAS Number: 927986-27-4
• MDL Number: MFCD09261514
• PubChem SID: 162061960
• PubChem CID: 16641494

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.9595338
• LogD (pH = 7.4): -0.38261443
• Log P: 0.7336462
• Molar Refractivity: 45.1994 cm^3
• Polarizability: 17.79335 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.176

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%