2-aminopropan-1-ol

• ChemBase ID: 146737
• Molecular Formular: C3H9NO
• Molecular Mass: 75.10966
• Monoisotopic Mass: 75.06841391
• SMILES: CC(CO)N
• Canonical SMILES: CC(CO)N
• InChI: InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3
• InChIKey: BKMMTJMQCTUHRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopropan-1-ol
• IUPAC Traditional name: 2-aminopropanol
• Synonyms: (±)-2-Amino-1-propanol; DL-Alaninol; DL-Alaninol; 2-aminopropan-1-ol; H-DL-Ala-ol; DL-Alaninol; (±)-2-Amino-1-propanol; (±)-2-氨基-1-丙醇; DL-丙氨醇; (±)-2-氨基-1-丙醇

Database IDs

• CAS Number: 6168-72-5
• EC Number: 228-207-3
• MDL Number: MFCD00008085
• Beilstein Number: 1209234
• PubChem SID: 24851532; 162240929
• PubChem CID: 5126

CALCULATED PROPERTIES

• Acid pKa: 15.136744
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.908886
• LogD (pH = 7.4): -3.2041879
• 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: 8°C
• Boiling Point: 173-176 °C(lit.); 174-176°C
• Flash Point: 183.2 °F; 83°C(181°F); 84 °C
• Density: 0.943 g/mL at 25 °C(lit.); 0.965
• Refractive Index: 1.4495; n20/D 1.450(lit.)
• Optical Rotation: [α]/D +1.0 to -1.0°
• Hydrophobicity(logP): -0.986

Safety Information

• Storage Warning: Air Sensitive & Hygroscopic
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; 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: 95%; 98%
• Linear Formula: CH3CH(NH2)CH2OH

DETAILS

Sigma Aldrich - 192171

Packaging
5, 25 g in glass bottle
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 192171.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.