2,2-diethoxypropan-1-amine

• ChemBase ID: 811382
• Molecular Formular: C7H17NO2
• Molecular Mass: 147.21538
• Monoisotopic Mass: 147.12592879
• SMILES: C(C(C)(OCC)OCC)N
• Canonical SMILES: NCC(OCC)(OCC)C
• InChI: InChI=1S/C7H17NO2/c1-4-9-7(3,6-8)10-5-2/h4-6,8H2,1-3H3
• InChIKey: UINLQSAHXLBLRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diethoxypropan-1-amine
• IUPAC Traditional name: 2,2-diethoxypropan-1-amine
• Synonyms: 2,2-DIETHOXYPROPAN-1-AMINE

Database IDs

• CAS Number: 39550-25-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.2713773
• LogD (pH = 7.4): -0.82285464
• Log P: 0.5681468
• Molar Refractivity: 41.2624 cm^3
• Polarizability: 16.534874 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%