9H-fluoren-9-ylmethyl N-(4-bromobutyl)carbamate

• ChemBase ID: 139333
• Molecular Formular: C19H20BrNO2
• Molecular Mass: 374.2716
• Monoisotopic Mass: 373.06774089
• SMILES: c1ccc2c(c1)c1ccccc1C2COC(=O)NCCCCBr
• Canonical SMILES: BrCCCCNC(=O)OCC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C19H20BrNO2/c20-11-5-6-12-21-19(22)23-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18H,5-6,11-13H2,(H,21,22)
• InChIKey: JARHDILDILQUOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl N-(4-bromobutyl)carbamate
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-(4-bromobutyl)carbamate
• Synonyms: 9-Fluorenylmethyl N-(4-bromobutyl)carbamate; 4-(Fmoc-amino)butyl bromide; N-(4-溴丁基)氨基甲酸芴甲酯; 4-(Fmoc-氨基)丁基溴

Database IDs

• MDL Number: MFCD06411709
• PubChem SID: 162233581; 24886553
• PubChem CID: 71310235

CALCULATED PROPERTIES

• Acid pKa: 15.313509
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.425877
• LogD (pH = 7.4): 4.425877
• Log P: 4.425877
• Molar Refractivity: 95.8354 cm^3
• Polarizability: 37.890644 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 7
• 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: ≥95.0% (CHN)
• Empirical Formula (Hill Notation): C19H20BrNO2

DETAILS

Sigma Aldrich - 73431

Packaging
1 g in poly tube