9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate

• ChemBase ID: 141378
• Molecular Formular: C19H21NO4
• Molecular Mass: 327.37434
• Monoisotopic Mass: 327.14705816
• SMILES: c1ccc2c(c1)c1ccccc1C2COC(=O)NCCOCCO
• Canonical SMILES: OCCOCCNC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C19H21NO4/c21-10-12-23-11-9-20-19(22)24-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,18,21H,9-13H2,(H,20,22)
• InChIKey: DUVHQSUZTXSLMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
• Synonyms: [2-(2-Hydroxy-ethoxy)ethyl]carbamic acid 9H-fluoren-9-ylmethyl ester; 2-[2-(Fmoc-amino)ethoxy]ethanol; [2-(2-羟基-乙氧基)乙基]氨基甲酸 9H-芴-9-基甲酯; 2-[2-(Fmoc-氨基)乙氧基]乙醇

Database IDs

• CAS Number: 299430-87-8
• MDL Number: MFCD04974286
• PubChem SID: 162235612
• PubChem CID: 11416167

CALCULATED PROPERTIES

• Acid pKa: 14.599529
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.261492
• LogD (pH = 7.4): 2.261492
• Log P: 2.261492
• Molar Refractivity: 91.3344 cm^3
• Polarizability: 36.639736 Å^3
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.5% (HPLC); 98%
• Empirical Formula (Hill Notation): C19H21NO4

DETAILS

Sigma Aldrich - 670529

Packaging
500 mg in poly bottle