9H-fluoren-9-ylmethyl carbamate

• ChemBase ID: 152219
• Molecular Formular: C15H13NO2
• Molecular Mass: 239.26922
• Monoisotopic Mass: 239.09462866
• SMILES: c1ccc2c(c1)c1ccccc1C2COC(=O)N
• Canonical SMILES: NC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C15H13NO2/c16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9H2,(H2,16,17)
• InChIKey: ZZOKVYOCRSMTSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl carbamate; (9H-fluoren-9-yl)methyl carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl carbamate
• Synonyms: Fmoc-amide; 9-Fluorenylmethyl carbamate; 9-Fluorenylmethyl carbamate; ZON; U - Zearalenone solution; Fmoc-酰胺; 芴甲氧羰酰胺; 9-芴甲基羰酰胺; 玉米烯酮 溶液

Database IDs

• CAS Number: 17924-92-4; 84418-43-9
• MDL Number: MFCD00237376
• Beilstein Number: 4188192
• PubChem SID: 162246364; 24870566
• PubChem CID: 736301

CALCULATED PROPERTIES

• Acid pKa: 15.64276
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7748935
• LogD (pH = 7.4): 2.7748935
• Log P: 2.7748935
• Molar Refractivity: 69.1019 cm^3
• Polarizability: 27.99302 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: dioxane: soluble15 mg/mL, clear, colorless
• Melting Point: 201-204 °C; 201-204°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥99.0% (HPLC); 97%; 98%; 98+%
• Empirical Formula (Hill Notation): C15H13NO2

DETAILS

Sigma Aldrich - 46916

Packaging
1 g in glass bottle

Sigma Aldrich - 46916

Packaging
1 g in glass bottle