(9H-fluoren-9-ylmethoxy)carbohydrazide

• ChemBase ID: 157915
• Molecular Formular: C15H14N2O2
• Molecular Mass: 254.28386
• Monoisotopic Mass: 254.1055277
• SMILES: c1ccc2c(c1)c1ccccc1C2COC(=O)NN
• Canonical SMILES: NNC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C15H14N2O2/c16-17-15(18)19-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14H,9,16H2,(H,17,18)
• InChIKey: YGCGPEUVGHDMLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (9H-fluoren-9-ylmethoxy)carbohydrazide
• IUPAC Traditional name: 9H-fluoren-9-ylmethoxycarbohydrazide
• Synonyms: Fmoc-hydrazide; 9-Fluorenylmethyl carbazate; 9-Fluorenylmethyl carbazate; Fmoc-肼; 9-芴基甲基肼基甲酸酯

Database IDs

• CAS Number: 35661-51-9
• MDL Number: MFCD00239419
• Beilstein Number: 2470262
• PubChem SID: 162252051; 24870570
• PubChem CID: 161883

CALCULATED PROPERTIES

• Acid pKa: 13.077366
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4777203
• LogD (pH = 7.4): 2.478408
• Log P: 2.4784179
• Molar Refractivity: 73.586 cm^3
• Polarizability: 29.410616 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ~170 °C (dec.)
• Fluorescence: λex 264 nm; λem 309 nm in methanol; λex 270 nm; λem 320 nm (Saccharide adducts)

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: ≥99.0%; ≥99.0% (HPLC); 95+%
• Grade: for HPLC derivatization
• Empirical Formula (Hill Notation): C15H14N2O2

DETAILS

Sigma Aldrich - 46917

Other Notes
Reagent for the sensitive fluorogenic derivatization of carbohydrates1,2