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

• ChemBase ID: 259729
• Molecular Formular: C5H14ClNO
• Molecular Mass: 139.62376
• Monoisotopic Mass: 139.07639175
• SMILES: N(C(COC)C)C.Cl
• Canonical SMILES: COCC(NC)C.Cl
• InChI: InChI=1S/C5H13NO.ClH/c1-5(6-2)4-7-3;/h5-6H,4H2,1-3H3;1H
• InChIKey: RCIYXAQXNFQRBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methoxypropan-2-yl)(methyl)amine hydrochloride
• IUPAC Traditional name: (1-methoxypropan-2-yl)(methyl)amine hydrochloride
• Synonyms: (1-methoxypropan-2-yl)(methyl)amine hydrochloride

Database IDs

• CAS Number: 314771-98-7
• MDL Number: MFCD11858130
• PubChem SID: 164315639
• PubChem CID: 45791444

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0268939
• LogD (pH = 7.4): -2.1454816
• 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

Physical Property

• Hydrophobicity(logP): -0.059

Product Information

• Purity: 95%