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

• ChemBase ID: 152258
• Molecular Formular: C19H23ClN2O3
• Molecular Mass: 362.85052
• Monoisotopic Mass: 362.13972029
• SMILES: c1ccc2c(c1)c1ccccc1C2COC(=O)NCCOCCN.Cl
• Canonical SMILES: NCCOCCNC(=O)OCC1c2ccccc2c2c1cccc2.Cl
• InChI: InChI=1S/C19H22N2O3.ClH/c20-9-11-23-12-10-21-19(22)24-13-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18;/h1-8,18H,9-13,20H2,(H,21,22);1H
• InChIKey: ZRXOWZYREIYUHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-9-ylmethyl N-[2-(2-aminoethoxy)ethyl]carbamate hydrochloride
• IUPAC Traditional name: 9H-fluoren-9-ylmethyl N-[2-(2-aminoethoxy)ethyl]carbamate hydrochloride
• Synonyms: N-Fmoc-2,2′-oxydiethylamine hydrochloride; 2-[2-(Fmoc-amino)ethoxy]ethylamine hydrochloride; (9H-Fluoren-9-yl)methyl (2-(2-aminoethoxy)ethyl)carbamate hydrochloride; N-Fmoc-2,2′-氧二乙胺 盐酸盐; 2-[2-(Fmoc-氨基)乙氧基]乙胺 盐酸盐

Database IDs

• CAS Number: 221352-88-1
• MDL Number: MFCD01321025
• PubChem SID: 24888912; 162246403
• PubChem CID: 2756222

CALCULATED PROPERTIES

• Acid pKa: 14.867096
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.82849663
• LogD (pH = 7.4): 0.14717084
• Log P: 2.1546102
• Molar Refractivity: 92.9919 cm^3
• Polarizability: 37.56139 Å^3
• Polar Surface Area: 73.58 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

Product Information

• Purity: ≥97.0% (HPLC); 95+%
• Empirical Formula (Hill Notation): C19H22N2O3 · HCl

DETAILS

Sigma Aldrich - 87556

Packaging
500 mg in poly tube