ethyl 2-amino-3-(dimethylamino)propanoate dihydrochloride

• ChemBase ID: 273254
• Molecular Formular: C7H18Cl2N2O2
• Molecular Mass: 233.13602
• Monoisotopic Mass: 232.07453319
• SMILES: C(C(=O)OCC)(CN(C)C)N.Cl.Cl
• Canonical SMILES: CCOC(=O)C(CN(C)C)N.Cl.Cl
• InChI: InChI=1S/C7H16N2O2.2ClH/c1-4-11-7(10)6(8)5-9(2)3;;/h6H,4-5,8H2,1-3H3;2*1H
• InChIKey: BIPKRCHHFRLPAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-amino-3-(dimethylamino)propanoate dihydrochloride
• IUPAC Traditional name: ethyl 2-amino-3-(dimethylamino)propanoate dihydrochloride
• Synonyms: ethyl 2-amino-3-(dimethylamino)propanoate dihydrochloride

Database IDs

• MDL Number: MFCD18483303
• PubChem SID: 164329164
• PubChem CID: 54592789

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3350787
• LogD (pH = 7.4): -1.5950252
• Log P: -0.41417274
• Molar Refractivity: 43.2855 cm^3
• Polarizability: 17.447567 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): -0.11

Product Information

• Purity: 95%