diethoxy(1-ethoxypropyl)amine

• ChemBase ID: 112154
• Molecular Formular: C9H21NO3
• Molecular Mass: 191.26794
• Monoisotopic Mass: 191.15214354
• SMILES: CCOC(CC)N(OCC)OCC
• Canonical SMILES: CCON(C(OCC)CC)OCC
• InChI: InChI=1S/C9H21NO3/c1-5-9(11-6-2)10(12-7-3)13-8-4/h9H,5-8H2,1-4H3
• InChIKey: YYECMKJXLVNVHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethoxy(1-ethoxypropyl)amine
• IUPAC Traditional name: diethoxy(1-ethoxypropyl)amine
• Synonyms: TRIETHOXY PROPYLAMINE

Database IDs

• PubChem SID: 162106717
• PubChem CID: 44135735

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5099046
• LogD (pH = 7.4): 1.5099046
• Log P: 1.5099046
• Molar Refractivity: 52.2013 cm^3
• Polarizability: 20.91951 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05222753

MP Biomedicals Rare Chemical collection