2-ethoxypropan-1-amine hydrochloride

• ChemBase ID: 24217
• Molecular Formular: C5H14ClNO
• Molecular Mass: 139.62376
• Monoisotopic Mass: 139.07639175
• SMILES: C(OCC)(CN)C.Cl
• Canonical SMILES: CCOC(CN)C.Cl
• InChI: InChI=1S/C5H13NO.ClH/c1-3-7-5(2)4-6;/h5H,3-4,6H2,1-2H3;1H
• InChIKey: AZBRERYHQCIIAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxypropan-1-amine hydrochloride
• IUPAC Traditional name: 2-ethoxypropan-1-amine hydrochloride
• Synonyms: 2-Ethoxy-propylamine hydrochloride

Database IDs

• MDL Number: MFCD09997700
• PubChem SID: 160987524
• PubChem CID: 44236855

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8868506
• LogD (pH = 7.4): -1.9468647
• Log P: 0.1009486
• Molar Refractivity: 30.1297 cm^3
• Polarizability: 12.157154 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false