2-ethoxypropan-1-amine

• ChemBase ID: 15411
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: NCC(OCC)C
• Canonical SMILES: CCOC(CN)C
• InChI: InChI=1S/C5H13NO/c1-3-7-5(2)4-6/h5H,3-4,6H2,1-2H3
• InChIKey: YFBZSYRSVUOGPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxypropan-1-amine
• IUPAC Traditional name: 2-ethoxypropan-1-amine
• Synonyms: 2-Ethoxy-1-propanamine; (2-ethoxypropyl)amine; 2-ethoxypropan-1-amine

Database IDs

• CAS Number: 88183-49-7
• MDL Number: MFCD06247387
• PubChem SID: 160978718
• PubChem CID: 22450283

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

Physical Property

• Hydrophobicity(logP): 0.166

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%