methoxy(propan-2-yl)amine hydrochloride

• ChemBase ID: 240453
• Molecular Formular: C4H12ClNO
• Molecular Mass: 125.59718
• Monoisotopic Mass: 125.06074169
• SMILES: N(OC)C(C)C.Cl
• Canonical SMILES: CONC(C)C.Cl
• InChI: InChI=1S/C4H11NO.ClH/c1-4(2)5-6-3;/h4-5H,1-3H3;1H
• InChIKey: NNCJQXQCWNAEKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methoxy(propan-2-yl)amine hydrochloride
• IUPAC Traditional name: isopropyl(methoxy)amine hydrochloride
• Synonyms: methoxy(propan-2-yl)amine hydrochloride

Database IDs

• MDL Number: MFCD22392147
• PubChem SID: 164296363
• PubChem CID: 71756557

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.3539395
• LogD (pH = 7.4): 0.62958384
• Log P: 0.6345234
• Molar Refractivity: 35.8259 cm^3
• Polarizability: 10.314882 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.541

Product Information

• Purity: 95%