(2S)-6-amino-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid hydrochloride

• ChemBase ID: 152150
• Molecular Formular: C21H25ClN2O4
• Molecular Mass: 404.8872
• Monoisotopic Mass: 404.15028497
• SMILES: c1ccc2c(c1)c1ccccc1C2COC(=O)N[C@@H](CCCCN)C(=O)O.Cl
• Canonical SMILES: NCCCC[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2.Cl
• InChI: InChI=1S/C21H24N2O4.ClH/c22-12-6-5-11-19(20(24)25)23-21(26)27-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18;/h1-4,7-10,18-19H,5-6,11-13,22H2,(H,23,26)(H,24,25);1H/t19-;/m0./s1
• InChIKey: MVMZFAIUUXYFGY-FYZYNONXSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-6-amino-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid hydrochloride
• IUPAC Traditional name: (2S)-6-amino-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hexanoic acid hydrochloride
• Synonyms: Nα-Fmoc-L-lysine hydrochloride; Fmoc-Lys-OH hydrochloride; Nα-芴甲氧羰基-L-赖氨酸 盐酸盐; Fmoc-Lys-OH 盐酸盐

Database IDs

• CAS Number: 139262-23-0
• MDL Number: MFCD00190889
• Beilstein Number: 8663370
• PubChem SID: 24850425; 162246295
• PubChem CID: 11858928

CALCULATED PROPERTIES

• Acid pKa: 3.6196792
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.64612985
• LogD (pH = 7.4): 0.65015
• Log P: 0.6504462
• Molar Refractivity: 101.8893 cm^3
• Polarizability: 41.04742 Å^3
• Polar Surface Area: 101.65 Å^2
• Rotatable Bonds: 9
• 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: ≥98.0% (HPLC)
• Empirical Formula (Hill Notation): C21H24N2O4 · HCl

DETAILS

Sigma Aldrich - 17290

Packaging
5 g in poly bottle