2-aminoethan-1-ol hydrochloride

• ChemBase ID: 91088
• Molecular Formular: C2H8ClNO
• Molecular Mass: 97.54402
• Monoisotopic Mass: 97.02944156
• SMILES: OCCN.Cl
• Canonical SMILES: NCCO.Cl
• InChI: InChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H
• InChIKey: PMUNIMVZCACZBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminoethan-1-ol hydrochloride
• IUPAC Traditional name: ethanolamine hydrochloride
• Synonyms: 2-Hydroxyethylamine hydrochloride; 2-Aminoethanol hydrochloride; ETHANOLAMINE HYDROCHLORIDE; 2-Aminoethanol hydrochloride; Ethanolamine hydrochloride; 盐酸乙醇胺; 2-氨基乙醇 盐酸盐; 乙醇胺 盐酸盐

Database IDs

• CAS Number: 2002-24-6
• EC Number: 217-900-6
• MDL Number: MFCD00012892
• Beilstein Number: 3542892
• Merck Index: 143727
• PubChem SID: 24894620; 162077792; 24854170
• PubChem CID: 74819

CALCULATED PROPERTIES

• Acid pKa: 15.610099
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.3092356
• LogD (pH = 7.4): -3.4192636
• Log P: -1.3155609
• Molar Refractivity: 16.2111 cm^3
• Polarizability: 6.5665693 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82-84 °C(lit.); 83°C; 83-86 °C; 83-86°C
• pKa: 9.5

Safety Information

• Storage Warning: Hygroscopic
• RTECS: KJ6370000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 36/37/38; R:20-36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98%; ≥98.0%; ≥98.0% (AT); ≥99%; ≥99.0%; 98+%
• Grade: purum; SAJ special grade
• Linear Formula: H2NCH2CH2OH · HCl

DETAILS

Sigma Aldrich - 186740

Packaging
250 g in poly bottle

Sigma Aldrich - E6133

包装
100 g in poly bottle