2-amino(1,2-14C2)ethan-1-ol hydrochloride

• ChemBase ID: 132255
• Molecular Formular: C2H8ClNO
• Molecular Mass: 101.52910398
• Monoisotopic Mass: 101.03592554
• SMILES: [14CH2]([14CH2]O)N.Cl
• Canonical SMILES: N[14CH2][14CH2]O.Cl
• InChI: InChI=1S/C2H7NO.ClH/c3-1-2-4;/h4H,1-3H2;1H/i1+2,2+2
• InChIKey: PMUNIMVZCACZBB-HMOJLQGTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino(1,2-^1^4C₂)ethan-1-ol hydrochloride
• IUPAC Traditional name: 2-amino(1,2-^1^4C₂)ethanol hydrochloride
• Synonyms: Ethanolamine-1,2-14C hydrochloride

Database IDs

• CAS Number: 80335-50-8
• MDL Number: MFCD00079170
• PubChem SID: 162226532; 24894470
• PubChem CID: 13000293

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

• Mass Shift: M+4

Safety Information

• European Hazard Symbols: R; Irritant (Xi)
• UN Number: 2910
• Hazard Class: 7
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• RID/ADR: UN 2910 7
• Storage Temperature: 2-8°C

Product Information

• Extent of Labeling: 5-25 mCi per mmol

DETAILS

Sigma Aldrich - E2388

包装
Serum bottle