2-amino(1,2-13C2)ethan-1-ol

• ChemBase ID: 134629
• Molecular Formular: C2H7NO
• Molecular Mass: 63.06838968
• Monoisotopic Mass: 63.05947353
• SMILES: [13CH2]([13CH2]O)N
• Canonical SMILES: N[13CH2][13CH2]O
• InChI: InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2/i1+1,2+1
• InChIKey: HZAXFHJVJLSVMW-ZDOIIHCHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino(1,2-^1^3C₂)ethan-1-ol
• IUPAC Traditional name: 2-amino(1,2-^1^3C₂)ethanol
• Synonyms: 2-Aminoethanol-13C2; Ethanolamine-13C2; 2-氨基乙醇-13C2; 乙醇胺-13C2

Database IDs

• CAS Number: 143557-81-7
• MDL Number: MFCD01075581
• PubChem SID: 162228905
• PubChem CID: 71308838

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: 11 °C(lit.)
• Boiling Point: 170 °C(lit.)
• Flash Point: 199.4 °F; 93 °C
• Density: 1.045 g/mL at 25 °C
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2491
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 20/21/22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H314-H332
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• RID/ADR: UN 2491 8/PG 3

Product Information

• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 63.05 by atom % calculation
• Linear Formula: HO13CH213CH2NH2

DETAILS

Sigma Aldrich - 606294

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.