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

• ChemBase ID: 55647
• Molecular Formular: C10H19Cl2N3O
• Molecular Mass: 268.18336
• Monoisotopic Mass: 267.0905176
• SMILES: c1(n(ccn1)C)CNCC1OCCC1.Cl.Cl
• Canonical SMILES: Cn1ccnc1CNCC1CCCO1.Cl.Cl
• InChI: InChI=1S/C10H17N3O.2ClH/c1-13-5-4-12-10(13)8-11-7-9-3-2-6-14-9;;/h4-5,9,11H,2-3,6-8H2,1H3;2*1H
• InChIKey: YKEZNEWPNNZYBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1-methyl-1H-imidazol-2-yl)methyl](oxolan-2-ylmethyl)amine dihydrochloride
• IUPAC Traditional name: [(1-methylimidazol-2-yl)methyl](oxolan-2-ylmethyl)amine dihydrochloride
• Synonyms: [(1-Methyl-1H-imidazol-2-yl)methyl]-(tetrahydrofuran-2-ylmethyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD18071379
• PubChem SID: 162060410
• PubChem CID: 56773675

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8752161
• LogD (pH = 7.4): -0.2984259
• Log P: 0.12855616
• Molar Refractivity: 54.7392 cm^3
• Polarizability: 21.440603 Å^3
• Polar Surface Area: 39.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false