(2S)-1-methoxypropan-2-amine hydrochloride

• ChemBase ID: 284608
• Molecular Formular: C4H12ClNO
• Molecular Mass: 125.59718
• Monoisotopic Mass: 125.06074169
• SMILES: Cl.N[C@H](COC)C
• Canonical SMILES: COC[C@@H](N)C.Cl
• InChI: InChI=1S/C4H11NO.ClH/c1-4(5)3-6-2;/h4H,3,5H2,1-2H3;1H/t4-;/m0./s1
• InChIKey: RVDUOVVHQKMQLM-WCCKRBBISA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20502233
• PubChem SID: 180670139
• PubChem CID: 54596079

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2594244
• LogD (pH = 7.4): -2.4717588
• Log P: -0.25585935
• Molar Refractivity: 25.3811 cm^3
• Polarizability: 10.314882 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.223

Product Information

• Purity: 95%