9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)carbamate

• ChemBase ID: 149430
• Molecular Formular: C17H17NO3
• Molecular Mass: 283.32178
• Monoisotopic Mass: 283.12084341
• SMILES: c1ccc2c(c1)c1ccccc1C2COC(=O)NCCO
• Canonical SMILES: OCCNC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C17H17NO3/c19-10-9-18-17(20)21-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16,19H,9-11H2,(H,18,20)
• InChIKey: XLIFWDZVNRWYKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-(2-hydroxyethyl)carbamate
• Synonyms: 9-Fluorenylmethyl N-(2-hydroxyethyl)carbamate; N-Fmoc-ethanolamine; 2-(Fmoc-amino)ethanol; 2-(Fmoc-amino)ethanol; N-Fmoc-ethanolamine; 9-芴甲基 N-(2-羟乙基)氨基甲酸酯; N-Fmoc-乙醇胺; 2-(N-芴甲氧羰基氨基)乙醇; 2-(Fmoc-氨基)乙醇

Database IDs

• CAS Number: 105496-31-9
• MDL Number: MFCD00235927
• Beilstein Number: 6605810
• PubChem SID: 162243595; 24868164
• PubChem CID: 2817739

CALCULATED PROPERTIES

• Acid pKa: 14.726282
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3084676
• LogD (pH = 7.4): 2.3084676
• Log P: 2.3084676
• Molar Refractivity: 80.2909 cm^3
• Polarizability: 32.273582 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144-147 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (HPLC); 97%
• Grade: purum
• Empirical Formula (Hill Notation): C17H17NO3

DETAILS

Sigma Aldrich - 445185

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 47458

Other Notes
Spacer employed in combinatorial solid-phase synthesis1; Protected building block for the solid-phase synthesis of peptides with a C-terminal amido alcohol ("glycinol")2,3