methyl 2-[(2-aminoethyl)(methyl)amino]acetate dihydrochloride

• ChemBase ID: 243470
• Molecular Formular: C6H16Cl2N2O2
• Molecular Mass: 219.10944
• Monoisotopic Mass: 218.05888312
• SMILES: C(=O)(CN(CCN)C)OC.Cl.Cl
• Canonical SMILES: NCCN(CC(=O)OC)C.Cl.Cl
• InChI: InChI=1S/C6H14N2O2.2ClH/c1-8(4-3-7)5-6(9)10-2;;/h3-5,7H2,1-2H3;2*1H
• InChIKey: QBFKIWZPCOBWTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(2-aminoethyl)(methyl)amino]acetate dihydrochloride
• IUPAC Traditional name: methyl 2-[(2-aminoethyl)(methyl)amino]acetate dihydrochloride
• Synonyms: methyl 2-[(2-aminoethyl)(methyl)amino]acetate dihydrochloride

Database IDs

• MDL Number: MFCD22578677
• PubChem SID: 164299380
• PubChem CID: 71757259

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.990725
• LogD (pH = 7.4): -2.9228148
• Log P: -0.982937
• Molar Refractivity: 38.7916 cm^3
• Polarizability: 15.611445 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.142

Product Information

• Purity: 95%