2-methoxypropanimidamide hydrochloride

• ChemBase ID: 236109
• Molecular Formular: C4H11ClN2O
• Molecular Mass: 138.59594
• Monoisotopic Mass: 138.05599066
• SMILES: C(=N)(C(OC)C)N.Cl
• Canonical SMILES: CC(C(=N)N)OC.Cl
• InChI: InChI=1S/C4H10N2O.ClH/c1-3(7-2)4(5)6;/h3H,1-2H3,(H3,5,6);1H
• InChIKey: FEKXIZVLPGDIHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxypropanimidamide hydrochloride
• IUPAC Traditional name: 2-methoxypropanimidamide hydrochloride
• Synonyms: 2-methoxypropanimidamide hydrochloride

Database IDs

• MDL Number: MFCD22196515
• PubChem SID: 164292019
• PubChem CID: 19095676

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.9761965
• LogD (pH = 7.4): -2.695439
• Log P: -0.5658175
• Molar Refractivity: 38.0073 cm^3
• Polarizability: 10.669806 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 106 - 108°C
• Hydrophobicity(logP): -0.932

Product Information

• Purity: 95%