1,1-diethoxypropan-2-amine

• ChemBase ID: 235215
• Molecular Formular: C7H17NO2
• Molecular Mass: 147.21538
• Monoisotopic Mass: 147.12592879
• SMILES: C(C(N)C)(OCC)OCC
• Canonical SMILES: CCOC(C(N)C)OCC
• InChI: InChI=1S/C7H17NO2/c1-4-9-7(6(3)8)10-5-2/h6-7H,4-5,8H2,1-3H3
• InChIKey: MLTOHCRTGWUMIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11168292
• PubChem SID: 164291125
• PubChem CID: 3016931

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1594725
• LogD (pH = 7.4): -0.82395285
• Log P: 0.7366591
• Molar Refractivity: 40.6594 cm^3
• Polarizability: 16.534874 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.228

Product Information

• Purity: 95%