2-(propan-2-yloxy)ethan-1-amine

• ChemBase ID: 18319
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: NCCOC(C)C
• Canonical SMILES: NCCOC(C)C
• InChI: InChI=1S/C5H13NO/c1-5(2)7-4-3-6/h5H,3-4,6H2,1-2H3
• InChIKey: USECIYVEPXUVHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yloxy)ethan-1-amine
• IUPAC Traditional name: 2-isopropoxyethanamine
• Synonyms: 2-Isopropoxy-ethylamine

Database IDs

• CAS Number: 81731-43-3
• MDL Number: MFCD00191603
• PubChem SID: 160981626
• PubChem CID: 533866

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.8821144
• LogD (pH = 7.4): -1.9061294
• 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