2-(methylamino)acetamide hydrate hydrochloride

• ChemBase ID: 263274
• Molecular Formular: C3H11ClN2O2
• Molecular Mass: 142.58464
• Monoisotopic Mass: 142.05090528
• SMILES: C(=O)(N)CNC.Cl.O
• Canonical SMILES: CNCC(=O)N.O.Cl
• InChI: InChI=1S/C3H8N2O.ClH.H2O/c1-5-2-3(4)6;;/h5H,2H2,1H3,(H2,4,6);1H;1H2
• InChIKey: PLTXEBQXQJIXIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)acetamide hydrate hydrochloride
• IUPAC Traditional name: 2-(methylamino)acetamide hydrate hydrochloride
• Synonyms: 2-(methylamino)acetamide hydrate hydrochloride

Database IDs

• MDL Number: MFCD13196027
• PubChem SID: 164319184
• PubChem CID: 45792286

CALCULATED PROPERTIES

• Acid pKa: 16.518812
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.4958878
• LogD (pH = 7.4): -2.9424477
• Log P: -1.5218378
• Molar Refractivity: 22.6002 cm^3
• Polarizability: 9.0116005 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.53

Product Information

• Purity: 95%