[(1-ethyl-1H-imidazol-2-yl)methyl](methyl)amine dihydrochloride

• ChemBase ID: 55537
• Molecular Formular: C7H15Cl2N3
• Molecular Mass: 212.1201
• Monoisotopic Mass: 211.06430286
• SMILES: c1(n(ccn1)CC)CNC.Cl.Cl
• Canonical SMILES: CNCc1nccn1CC.Cl.Cl
• InChI: InChI=1S/C7H13N3.2ClH/c1-3-10-5-4-9-7(10)6-8-2;;/h4-5,8H,3,6H2,1-2H3;2*1H
• InChIKey: NMUFWGIWMVVNRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-ethyl-1H-imidazol-2-yl)methyl](methyl)amine dihydrochloride
• IUPAC Traditional name: [(1-ethylimidazol-2-yl)methyl](methyl)amine dihydrochloride
• Synonyms: [(1-Ethyl-1H-imidazol-2-yl)methyl]methylamine dihydrochloride

Database IDs

• MDL Number: MFCD18071265
• PubChem SID: 162060300
• PubChem CID: 56773611

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2300367
• LogD (pH = 7.4): -0.5834722
• Log P: 0.0667751
• Molar Refractivity: 41.2331 cm^3
• Polarizability: 15.94998 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false