(2-methoxyethyl)(methyl)amine hydrochloride

• ChemBase ID: 21420
• Molecular Formular: C4H12ClNO
• Molecular Mass: 125.59718
• Monoisotopic Mass: 125.06074169
• SMILES: C(COC)NC.Cl
• Canonical SMILES: CNCCOC.Cl
• InChI: InChI=1S/C4H11NO.ClH/c1-5-3-4-6-2;/h5H,3-4H2,1-2H3;1H
• InChIKey: WZTOGZXZQJFJNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(methyl)amine hydrochloride
• IUPAC Traditional name: (2-methoxyethyl)(methyl)amine hydrochloride
• Synonyms: (2-methoxyethyl)(methyl)amine hydrochloride; 2-Methoxy-N-methyl-1-ethanamine hydrochloride

Database IDs

• MDL Number: MFCD08741493
• PubChem SID: 160984727
• PubChem CID: 18670924

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.435064
• LogD (pH = 7.4): -2.482124
• Log P: -0.23985398
• Molar Refractivity: 25.7369 cm^3
• Polarizability: 10.314882 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): -0.228

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%