2-(methylamino)ethan-1-ol

• ChemBase ID: 57388
• Molecular Formular: C3H9NO
• Molecular Mass: 75.10966
• Monoisotopic Mass: 75.06841391
• SMILES: CNCCO
• Canonical SMILES: CNCCO
• InChI: InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3
• InChIKey: OPKOKAMJFNKNAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)ethan-1-ol
• IUPAC Traditional name: methylethanolamine
• Synonyms: 2-(Methylamino)ethanol; N-Methylethanolamine; 2-(Methylamino)ethanol; Methyl β-hydroxyethylamine; N-METHYLETHANOLAMINE; N-甲基单乙醇胺; 2-(甲胺基)乙醇; 2-(甲氨基)乙醇

Database IDs

• CAS Number: 109-83-1
• EC Number: 203-710-0
• MDL Number: MFCD00002839
• Beilstein Number: 1071196
• Merck Index: 146015
• PubChem SID: 24884148; 24849694; 162062151; 24870733
• PubChem CID: 8016
• CHEBI ID: 21763
• CHEMBL: 104083
• Chemspider ID: 13836021
• MeSH Name: N-methylaminoethanol
• Wikipedia Title: N-Methylethanolamine

CALCULATED PROPERTIES

• Acid pKa: 15.602797
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.0895915
• LogD (pH = 7.4): -3.2372544
• Log P: -0.88298047
• Molar Refractivity: 20.9857 cm^3
• Polarizability: 8.402709 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Miscible in water
• Apperance: Colourless liquid
• Melting Point: -4.50°C (268.65K); -5°C
• Boiling Point: 158.05°C (431.2K); 159 °C(lit.); 159°C
• Flash Point: 168.8 °F; 74°C(165°F); 76 °C
• Auto Ignition Point: 350 °C; 662 °F
• Density: 0.935 g/mL at 25 °C(lit.); 0.939; 935 g mL^-1
• Refractive Index: 1.439; 1.4400; n20/D 1.438-1.441; n20/D 1.439; n20/D 1.439(lit.)
• Vapor Pressure: 0.5 mmHg ( 20 °C); 70 Pa (at 20 °C)
• Vapor Density: 2.6 (vs air)
• Partition Coefficient: 1.062
• Odor: Ammoniacal

Safety Information

• Storage Warning: IRRITANT
• RTECS: KL6650000
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2735; UN2735
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3; III
• Risk Statements: 21/22-34; r21/22, r34
• Safety Statements: 26-36/37/39-45; s1/2, s26, s36/37/39, s45
• TSCA Listed: false; 是
• EU Index: 603-080-00-0
• GHS Pictograms: GHS corrosion; GHS exclamation mark; GHS05; GHS07
• GHS Signal Word: DANGER; Danger
• Explode Limits: 1.6–19.8%; 19.8 %
• GHS Hazard statements: 302, 312, 314; H302-H312-H314; H314-H302-H312-H227
• GHS Precautionary statements: 280, 305+351+338, 310; 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 3

Product Information

• Purity: ≥98%; ≥98.0% (GC); ≥99%; ≥99% (GC); 95+%; 99%
• Grade: purum
• Impurities: ≤0.5% N-methyldiethanolamine (GC)
• Linear Formula: CH3NHCH2CH2OH

DETAILS

MP Biomedicals - 05214431

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 471445

Packaging
2 L in glass bottle
25, 250 mL in glass bottle