(2-ethoxyethyl)(methyl)amine hydrochloride

• ChemBase ID: 15418
• Molecular Formular: C5H14ClNO
• Molecular Mass: 139.62376
• Monoisotopic Mass: 139.07639175
• SMILES: N(CCOCC)C.Cl
• Canonical SMILES: CNCCOCC.Cl
• InChI: InChI=1S/C5H13NO.ClH/c1-3-7-5-4-6-2;/h6H,3-5H2,1-2H3;1H
• InChIKey: FNLOKKWPESLTIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-ethoxyethyl)(methyl)amine hydrochloride
• IUPAC Traditional name: (2-ethoxyethyl)(methyl)amine hydrochloride
• Synonyms: 2-Ethoxy-N-methyl-1-ethanamine hydrochloride

Database IDs

• MDL Number: MFCD00714846
• PubChem SID: 160978725
• PubChem CID: 22113100

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0781944
• LogD (pH = 7.4): -2.1247737
• Log P: 0.11695398
• Molar Refractivity: 30.4855 cm^3
• Polarizability: 12.157154 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false