9H-fluoren-9-ylmethyl N-(5-hydroxypentyl)carbamate

• ChemBase ID: 74074
• Molecular Formular: C20H23NO3
• Molecular Mass: 325.40152
• Monoisotopic Mass: 325.1677936
• SMILES: O(CC1c2c(cccc2)c2c1cccc2)C(=O)NCCCCCO
• Canonical SMILES: OCCCCCNC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C20H23NO3/c22-13-7-1-6-12-21-20(23)24-14-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,19,22H,1,6-7,12-14H2,(H,21,23)
• InChIKey: YNOWFUNORLDFTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl N-(5-hydroxypentyl)carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-(5-hydroxypentyl)carbamate
• Synonyms: 9-Fluorenylmethyl N-(5-hydroxypentyl)carbamate; 5-(Fmoc-amino)-1-pentanol; N-(9-Fluorenylmethoxycarbonyl)-5-aminopentan-1-ol; 9-芴甲基 N-(5-羟基戊基)氨基甲酸酯; 5-(Fmoc-氨基)-1-戊醇

Database IDs

• MDL Number: MFCD00377789
• Beilstein Number: 3623714
• PubChem SID: 24870858; 162038993
• PubChem CID: 2736487

CALCULATED PROPERTIES

• Acid pKa: 15.936146
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.3303585
• LogD (pH = 7.4): 3.3303585
• Log P: 3.3303585
• Molar Refractivity: 94.4019 cm^3
• Polarizability: 37.808975 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103-108 °C (dec.); 112-114°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% (HPLC)
• Empirical Formula (Hill Notation): C20H23NO3

DETAILS

Sigma Aldrich - 47299

Packaging
5 g in poly bottle