3-methoxypropanimidamide hydrochloride

• ChemBase ID: 274730
• Molecular Formular: C4H11ClN2O
• Molecular Mass: 138.59594
• Monoisotopic Mass: 138.05599066
• SMILES: C(=N)(CCOC)N.Cl
• Canonical SMILES: COCCC(=N)N.Cl
• InChI: InChI=1S/C4H10N2O.ClH/c1-7-3-2-4(5)6;/h2-3H2,1H3,(H3,5,6);1H
• InChIKey: KRGDUBQLCSQJJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxypropanimidamide hydrochloride
• IUPAC Traditional name: 3-methoxypropanimidamide hydrochloride
• Synonyms: 3-methoxypropanimidamide hydrochloride

Database IDs

• MDL Number: MFCD08752295
• PubChem SID: 164330640
• PubChem CID: 19847582

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.3130102
• LogD (pH = 7.4): -3.3116343
• Log P: -0.89756894
• Molar Refractivity: 38.2128 cm^3
• Polarizability: 10.669806 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44 - 46°C
• Hydrophobicity(logP): -0.947

Product Information

• Purity: 95%