(butan-2-yl)(methoxy)amine hydrochloride

• ChemBase ID: 240452
• Molecular Formular: C5H14ClNO
• Molecular Mass: 139.62376
• Monoisotopic Mass: 139.07639175
• SMILES: N(OC)C(CC)C.Cl
• Canonical SMILES: CONC(CC)C.Cl
• InChI: InChI=1S/C5H13NO.ClH/c1-4-5(2)6-7-3;/h5-6H,4H2,1-3H3;1H
• InChIKey: FBILPNJBWNTZEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (butan-2-yl)(methoxy)amine hydrochloride
• IUPAC Traditional name: methoxy(sec-butyl)amine hydrochloride
• Synonyms: (butan-2-yl)(methoxy)amine hydrochloride

Database IDs

• MDL Number: MFCD22392146
• PubChem SID: 164296362
• PubChem CID: 71756556

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.81647915
• LogD (pH = 7.4): 1.1505791
• Log P: 1.1570458
• Molar Refractivity: 40.3499 cm^3
• Polarizability: 12.157154 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.07

Product Information

• Purity: 95%