N,N'-dimethylethanimidamide hydrochloride

• ChemBase ID: 238926
• Molecular Formular: C4H11ClN2
• Molecular Mass: 122.59654
• Monoisotopic Mass: 122.06107604
• SMILES: C(=N\C)(/NC)\C.Cl
• Canonical SMILES: CN/C(=N/C)/C.Cl
• InChI: InChI=1S/C4H10N2.ClH/c1-4(5-2)6-3;/h1-3H3,(H,5,6);1H
• InChIKey: XXFPHXUMMRULDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N'-dimethylethanimidamide hydrochloride
• IUPAC Traditional name: N,N'-dimethylethanimidamide hydrochloride
• Synonyms: N,N'-dimethylethanimidamide hydrochloride

Database IDs

• MDL Number: MFCD22378660
• PubChem SID: 164294836
• PubChem CID: 44887052

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8746192
• LogD (pH = 7.4): -2.8735056
• Log P: -0.4591747
• Molar Refractivity: 26.3164 cm^3
• Polarizability: 9.959052 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 199 - 201°C
• Hydrophobicity(logP): 1.008

Product Information

• Purity: 95%