ethoxymethanimidamide hydrochloride

• ChemBase ID: 70269
• Molecular Formular: C3H9ClN2O
• Molecular Mass: 124.56936
• Monoisotopic Mass: 124.0403406
• SMILES: C(=N)(N)OCC.Cl
• Canonical SMILES: CCOC(=N)N.Cl
• InChI: InChI=1S/C3H8N2O.ClH/c1-2-6-3(4)5;/h2H2,1H3,(H3,4,5);1H
• InChIKey: TVHBMXJAQHVCSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethoxymethanimidamide hydrochloride
• IUPAC Traditional name: ethoxymethanimidamide hydrochloride
• Synonyms: Ethyl carbamimidate hydrochloride

Database IDs

• CAS Number: 31407-74-6
• PubChem SID: 162035992
• PubChem CID: 12298735

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.4196143
• LogD (pH = 7.4): -1.8960701
• Log P: -0.017427724
• Molar Refractivity: 33.7011 cm^3
• Polarizability: 8.840834 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%