(2-methoxypropyl)(methyl)amine hydrochloride

• ChemBase ID: 18879
• Molecular Formular: C5H14ClNO
• Molecular Mass: 139.62376
• Monoisotopic Mass: 139.07639175
• SMILES: N(CC(OC)C)C.Cl
• Canonical SMILES: CNCC(OC)C.Cl
• InChI: InChI=1S/C5H13NO.ClH/c1-5(7-3)4-6-2;/h5-6H,4H2,1-3H3;1H
• InChIKey: PXTPJTWXYQKSBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxypropyl)(methyl)amine hydrochloride
• IUPAC Traditional name: (2-methoxypropyl)(methyl)amine hydrochloride
• Synonyms: (2-Methoxy-propyl)-methyl-amine hydrochloride

Database IDs

• CAS Number: 883543-35-9
• MDL Number: MFCD08448110
• PubChem SID: 160982186
• PubChem CID: 25049826

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.030529
• LogD (pH = 7.4): -2.1846843
• Log P: 0.17672105
• Molar Refractivity: 30.1557 cm^3
• Polarizability: 12.157154 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false