3-ethoxypropanimidamide hydrochloride

• ChemBase ID: 271153
• Molecular Formular: C5H13ClN2O
• Molecular Mass: 152.62252
• Monoisotopic Mass: 152.07164073
• SMILES: C(=N)(CCOCC)N.Cl
• Canonical SMILES: CCOCCC(=N)N.Cl
• InChI: InChI=1S/C5H12N2O.ClH/c1-2-8-4-3-5(6)7;/h2-4H2,1H3,(H3,6,7);1H
• InChIKey: GJXJHJJLABPCPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09260544
• PubChem SID: 164327063
• PubChem CID: 42614326

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.9562023
• LogD (pH = 7.4): -2.9548252
• Log P: -0.540761
• Molar Refractivity: 42.9614 cm^3
• Polarizability: 12.503296 Å^3
• Polar Surface Area: 59.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.558

Product Information

• Purity: 95%