(3-aminopropyl)(ethoxy)phosphinic acid hydrochloride

• ChemBase ID: 240223
• Molecular Formular: C5H15ClNO3P
• Molecular Mass: 203.604261
• Monoisotopic Mass: 203.04780766
• SMILES: P(=O)(O)(OCC)CCCN.Cl
• Canonical SMILES: NCCCP(=O)(OCC)O.Cl
• InChI: InChI=1S/C5H14NO3P.ClH/c1-2-9-10(7,8)5-3-4-6;/h2-6H2,1H3,(H,7,8);1H
• InChIKey: USHLWXUAFKQGTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminopropyl)(ethoxy)phosphinic acid hydrochloride
• IUPAC Traditional name: 3-aminopropyl(ethoxy)phosphinic acid hydrochloride
• Synonyms: (3-aminopropyl)(ethoxy)phosphinic acid hydrochloride

Database IDs

• MDL Number: MFCD22378794
• PubChem SID: 164296133
• PubChem CID: 71756498

CALCULATED PROPERTIES

• Acid pKa: 1.907725
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.128091
• LogD (pH = 7.4): -2.1286094
• Log P: -2.1280332
• Molar Refractivity: 39.3479 cm^3
• Polarizability: 15.971905 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.48

Product Information

• Purity: 95%