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

• ChemBase ID: 302455
• Molecular Formular: C4H11NO
• Molecular Mass: 89.13624
• Monoisotopic Mass: 89.08406398
• SMILES: C[C@@H](COC)N
• Canonical SMILES: COC[C@@H](N)C
• InChI: InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m0/s1
• InChIKey: NXMXETCTWNXSFG-BYPYZUCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1-methoxypropan-2-amine
• IUPAC Traditional name: (2S)-1-methoxypropan-2-amine
• Synonyms: (S)-2-Amino-1-methoxypropane; (S)-(+)-1-Methoxy-2-propylamine; (S)-(+)-1-甲氧基-2-丙胺

Database IDs

• CAS Number: 99636-32-5
• MDL Number: MFCD01075730
• Beilstein Number: 5725728

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

• Melting Point: -95°C
• Boiling Point: 98-99°C
• Flash Point: 9°C(48°F)
• Density: 0.844
• Refractive Index: 1.4044
• Optical Rotation: +11.5 (neat)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: UN2733
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-22-34-52/53
• Safety Statements: 16-26-36/37/39-45-61
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Hazard statements: H225-H314-H318-H302-H402-H412
• GHS Precautionary statements: P210-P280-P273-P305+P351+P338-P309-P310

Product Information

• Purity: ChiPros 98+%, ee 96+%