ethyl(1-methoxypropan-2-yl)amine hydrochloride

• ChemBase ID: 257305
• Molecular Formular: C6H16ClNO
• Molecular Mass: 153.65034
• Monoisotopic Mass: 153.09204182
• SMILES: N(C(COC)C)CC.Cl
• Canonical SMILES: COCC(NCC)C.Cl
• InChI: InChI=1S/C6H15NO.ClH/c1-4-7-6(2)5-8-3;/h6-7H,4-5H2,1-3H3;1H
• InChIKey: SHANZBSMSFZPCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(1-methoxypropan-2-yl)amine hydrochloride
• IUPAC Traditional name: ethyl(1-methoxypropan-2-yl)amine hydrochloride
• Synonyms: N-ethyl-N-(2-methoxy-1-methylethyl)amine hydrochloride

Database IDs

• MDL Number: MFCD11099655
• PubChem SID: 164313215
• PubChem CID: 43810697

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6764426
• LogD (pH = 7.4): -1.8595144
• Log P: 0.533529
• Molar Refractivity: 34.9043 cm^3
• Polarizability: 14.000582 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.47

Product Information

• Purity: 95%