2-aminopropan-2-ol

• ChemBase ID: 302422
• Molecular Formular: C3H9NO
• Molecular Mass: 75.10966
• Monoisotopic Mass: 75.06841391
• SMILES: CC(C)(N)O
• Canonical SMILES: CC(O)(N)C
• InChI: InChI=1S/C3H9NO/c1-3(2,4)5/h5H,4H2,1-2H3
• InChIKey: QZXIXSZVEYUCGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopropan-2-ol
• IUPAC Traditional name: isopropanolamine
• Synonyms: (±)-Isopropanolamine; (±)-1-Amino-2-propanol; (+/-)-1-氨基-2-丙醇

Database IDs

• CAS Number: 78-96-6
• EC Number: 201-162-7
• MDL Number: MFCD00008139
• Beilstein Number: 605275

CALCULATED PROPERTIES

• Acid pKa: 14.469383
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7268782
• LogD (pH = 7.4): -2.8887897
• Log P: -0.7278643
• Molar Refractivity: 20.8847 cm^3
• Polarizability: 8.402709 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 160°C
• Flash Point: 71°C(159°F)
• Density: 0.959
• Refractive Index: 1.4480

Safety Information

• Storage Warning: Air Sensitive & Hygroscopic
• RTECS: UA5775000
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 23-26-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 94%, remainder 2-amino-1-propanol