9H-fluoren-9-ylmethyl N-(6-hydroxyhexyl)carbamate

• ChemBase ID: 74073
• Molecular Formular: C21H25NO3
• Molecular Mass: 339.4281
• Monoisotopic Mass: 339.18344367
• SMILES: O(CC1c2c(cccc2)c2c1cccc2)C(=O)NCCCCCCO
• Canonical SMILES: OCCCCCCNC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C21H25NO3/c23-14-8-2-1-7-13-22-21(24)25-15-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h3-6,9-12,20,23H,1-2,7-8,13-15H2,(H,22,24)
• InChIKey: VGXOJZUTHIGHPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl N-(6-hydroxyhexyl)carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-(6-hydroxyhexyl)carbamate
• Synonyms: 9-Fluorenylmethyl N-(6-hydroxyhexyl)carbamate; 6-(Fmoc-amino)-1-hexanol; N-(Fluoren-9-ylmethoxycarbonyl)-6-aminohexan-1-ol; 9-芴甲基 N-(6-羟基己基)氨基甲酸酯; 6-(Fmoc-氨基)-1-己醇

Database IDs

• CAS Number: 127903-20-2
• MDL Number: MFCD00380196
• Beilstein Number: 4531101
• PubChem SID: 162038992; 24870854
• PubChem CID: 2736486

CALCULATED PROPERTIES

• Acid pKa: 15.970041
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.7749274
• LogD (pH = 7.4): 3.7749274
• Log P: 3.7749274
• Molar Refractivity: 99.0029 cm^3
• Polarizability: 39.654438 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119-120°C

Safety Information

• Storage Warning: Irritant
• 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: ≥98.0%
• Empirical Formula (Hill Notation): C21H25NO3

DETAILS

Sigma Aldrich - 47297

Other Notes
Reagent for the introduction of a spacer arm.1,2
Packaging
1 g in poly tube