(2S)-1,1-dimethoxypropan-2-amine

• ChemBase ID: 281770
• Molecular Formular: C5H13NO2
• Molecular Mass: 119.16222
• Monoisotopic Mass: 119.09462866
• SMILES: C([C@@H](N)C)(OC)OC
• Canonical SMILES: COC([C@@H](N)C)OC
• InChI: InChI=1S/C5H13NO2/c1-4(6)5(7-2)8-3/h4-5H,6H2,1-3H3/t4-/m0/s1
• InChIKey: GZOKAVHTSXSLNB-BYPYZUCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1,1-dimethoxypropan-2-amine
• IUPAC Traditional name: (2S)-1,1-dimethoxypropan-2-amine
• Synonyms: (2S)-1,1-dimethoxypropan-2-amine

Database IDs

• MDL Number: MFCD14705947
• PubChem SID: 180667301
• PubChem CID: 10866318

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8733072
• LogD (pH = 7.4): -1.5383304
• Log P: 0.023043213
• Molar Refractivity: 31.1622 cm^3
• Polarizability: 12.860454 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.55

Product Information

• Purity: 95%