3-aminopropan-1-ol

• ChemBase ID: 107402
• Molecular Formular: C3H9NO
• Molecular Mass: 75.10966
• Monoisotopic Mass: 75.06841391
• SMILES: NCCCO
• Canonical SMILES: NCCCO
• InChI: InChI=1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2
• InChIKey: WUGQZFFCHPXWKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-aminopropan-1-ol
• IUPAC Traditional name: propanolamine
• Synonyms: 3-AMINOPROPANOL; 3-Aminopropyl alcohol; 3-Amino-1-propanol; 3-Propanolamine; 3-氨基丙醇; 3-氨基-1-丙醇

Database IDs

• CAS Number: 156-87-6
• EC Number: 205-864-4
• MDL Number: MFCD00008223
• Beilstein Number: 741855
• PubChem SID: 24845210; 24854393; 162093236; 24891263
• PubChem CID: 9086

CALCULATED PROPERTIES

• Acid pKa: 15.934239
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.2677217
• LogD (pH = 7.4): -3.5967104
• Log P: -1.2556012
• Molar Refractivity: 21.0765 cm^3
• Polarizability: 8.402709 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 10-12 °C(lit.); 11°C
• Boiling Point: 184-187 °C(lit.); 184-187°C
• Flash Point: 101°C(214°F); 174.2 °F; 79 °C
• Auto Ignition Point: 770 °F
• Density: 0.982 g/mL at 20 °C(lit.); 0.983
• Refractive Index: 1.4610; n20/D 1.4598(lit.); n20/D 1.461; n20/D 1.462
• Vapor Pressure: 2.1 mmHg ( 20 °C)
• Vapor Density: 2.59 (vs air)

Safety Information

• Storage Warning: Hygroscopic
• RTECS: UA5600000
• European Hazard Symbols: Corrosive (C); X; Harmful (Xn)
• UN Number: 2735; UN2735
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 21/22-34; 34; R:27-34
• Safety Statements: 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H312-H303
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-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: ≥98.0% (GC); ≥99%; ≥99.5% (GC); 99%
• Grade: analytical standard; purum
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: HO(CH2)3NH2

DETAILS

Sigma Aldrich - A76400

Packaging
100, 500 g in glass bottle

Sigma Aldrich - 239844

Packaging
10, 50 g in glass bottle