2-ethoxypropanimidamide hydrochloride

• ChemBase ID: 283261
• Molecular Formular: C5H13ClN2O
• Molecular Mass: 152.62252
• Monoisotopic Mass: 152.07164073
• SMILES: C(=N)(C(OCC)C)N.Cl
• Canonical SMILES: CC(C(=N)N)OCC.Cl
• InChI: InChI=1S/C5H12N2O.ClH/c1-3-8-4(2)5(6)7;/h4H,3H2,1-2H3,(H3,6,7);1H
• InChIKey: JTGRKCHXAHHVSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20501965
• PubChem SID: 180668792
• PubChem CID: 54595695

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.6192913
• LogD (pH = 7.4): -2.3346322
• Log P: -0.2090095
• Molar Refractivity: 42.7559 cm^3
• Polarizability: 12.503296 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 88 - 90°C
• Hydrophobicity(logP): -0.543

Product Information

• Purity: 95%