1-aminopropan-2-ol

• ChemBase ID: 125145
• Molecular Formular: C3H9NO
• Molecular Mass: 75.10966
• Monoisotopic Mass: 75.06841391
• SMILES: OC(C)CN
• Canonical SMILES: CC(CN)O
• InChI: InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
• InChIKey: HXKKHQJGJAFBHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-aminopropan-2-ol
• IUPAC Traditional name: 1-amino-2-propanol
• Synonyms: Isopropanolamine; Monoisopropanolamine; MIPA; Threamine; 1-Amino-2-propanol; (±)-Isopropanolamine; (±)-1-Amino-2-propanol; Amino-2-propanol; (±)-1-Amino-2-propanol; DL-1-Amino-2-propanol; (±)-1-氨基-2-丙醇; (±)-异丙醇胺; 1-氨基-2-丙醇; (±)-1-氨基-2-丙醇; DL-1-氨基-2-丙醇

Database IDs

• CAS Number: 78-96-6
• EC Number: 201-162-7
• MDL Number: MFCD00008139
• Beilstein Number: 605275
• PubChem SID: 162219495; 24846971; 24846299
• PubChem CID: 4
• CHEMBL: 326602
• Chemspider ID: 3
• FEMA ID: 3965
• KEGG ID: C05771
• Unique Ingredient Identifier: UE40BY1BZW
• Wikipedia Title: 1-Amino-2-propanol

CALCULATED PROPERTIES

• Acid pKa: 15.304407
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8963997
• LogD (pH = 7.4): -3.0420208
• Log P: -0.89898586
• Molar Refractivity: 20.6299 cm^3
• Polarizability: 8.402709 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -2 °C(lit.); -2°C
• Boiling Point: 160 °C(lit.); 160°C
• Flash Point: 159.8 °F; 71 °C
• Density: 0.973 g/mL; 0.973 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4478(lit.); n20/D 1.448
• Vapor Pressure: <1 mmHg ( 20 °C)
• Vapor Density: 2.6 (vs air)

Safety Information

• RTECS: UA5775000
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 23-26-36-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 2

Product Information

• Purity: ≥90%; ≥98.0% (GC); 93%
• Grade: purum
• Impurities: ~7% 2-amino-1-propanol; <10% 2-amino-1-propanol; 7% 2-amino-1-propanol
• Linear Formula: CH3CH(OH)CH2NH2

DETAILS

Sigma Aldrich - W396508

Packaging
1 kg in poly bottle
1 sample in glass bottle
10, 25 kg in poly drum

Sigma Aldrich - 110248

Packaging
1 L in glass bottle
100 mL in glass bottle