2-methoxyethanimidamide hydrochloride

• ChemBase ID: 278930
• Molecular Formular: C3H9ClN2O
• Molecular Mass: 124.56936
• Monoisotopic Mass: 124.0403406
• SMILES: C(=N)(N)COC.Cl
• Canonical SMILES: COCC(=N)N.Cl
• InChI: InChI=1S/C3H8N2O.ClH/c1-6-2-3(4)5;/h2H2,1H3,(H3,4,5);1H
• InChIKey: JIQYMVXNVNFXIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyethanimidamide hydrochloride
• IUPAC Traditional name: 2-methoxyethanimidamide hydrochloride
• Synonyms: 2-methoxyethanimidamide hydrochloride; 2-Methoxyacetimidamide hydrochloride

Database IDs

• CAS Number: 1903-91-9
• MDL Number: MFCD08752294
• PubChem SID: 164334840
• PubChem CID: 13548602

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.5448987
• LogD (pH = 7.4): -3.2616491
• Log P: -1.1345817
• Molar Refractivity: 33.5134 cm^3
• Polarizability: 8.840834 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 56 - 58°C
• Hydrophobicity(logP): -1.241

Product Information

• Purity: 95%; 95+%