9H-fluoren-9-ylmethyl N-hydroxycarbamate

• ChemBase ID: 152672
• Molecular Formular: C15H13NO3
• Molecular Mass: 255.26862
• Monoisotopic Mass: 255.08954328
• SMILES: c1ccc2c(c1)c1ccccc1C2COC(=O)NO
• Canonical SMILES: ONC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C15H13NO3/c17-15(16-18)19-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14,18H,9H2,(H,16,17)
• InChIKey: HHNJBGORPSTJDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl N-hydroxycarbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-hydroxycarbamate
• Synonyms: N-(9-Fluorenylmethoxycarbonyl)hydroxylamine; N-Fmoc-hydroxylamine; 9-Fluorenylmethyl N-hydroxycarbamate; N-(9-芴基甲氧基羰基)羟胺; N-Fmoc-羟胺; 9-芴基甲基N-羟基氨基甲酸酯

Database IDs

• CAS Number: 190656-01-0
• MDL Number: MFCD01862911
• Beilstein Number: 7712144
• PubChem SID: 162246815; 24846901
• PubChem CID: 5062222

CALCULATED PROPERTIES

• LogD (pH = 5.5): 2.7712514
• LogD (pH = 7.4): 2.736617
• Log P: 2.7717118
• Molar Refractivity: 70.8665 cm^3
• Polarizability: 28.584463 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 8.470901
• H Acceptors: 2
• H Donor: 2

PROPERTIES

Physical Property

• Melting Point: 164.5 °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

Product Information

• Purity: ≥99.0%
• Empirical Formula (Hill Notation): C15H13NO3

DETAILS

Sigma Aldrich - 10926

Other Notes
Building block for the solid-phase synthesis of (peptide) hydroxamic acids on chlorotrityl resin1
Packaging
5 g in poly bottle