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88574-07-6 molecular structure
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11-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}undecanoic acid

ChemBase ID: 38490
Molecular Formular: C26H33NO4
Molecular Mass: 423.54452
Monoisotopic Mass: 423.24095854
SMILES and InChIs

SMILES:
C(CCCCCC(=O)O)CCCCNC(=O)OCC1c2c(c3c1cccc3)cccc2
Canonical SMILES:
OC(=O)CCCCCCCCCCNC(=O)OCC1c2ccccc2c2c1cccc2
InChI:
InChI=1S/C26H33NO4/c28-25(29)17-7-5-3-1-2-4-6-12-18-27-26(30)31-19-24-22-15-10-8-13-20(22)21-14-9-11-16-23(21)24/h8-11,13-16,24H,1-7,12,17-19H2,(H,27,30)(H,28,29)
InChIKey:
IMEVDILDSCXKJW-UHFFFAOYSA-N

Cite this record

CBID:38490 http://www.chembase.cn/molecule-38490.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
11-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}undecanoic acid
IUPAC Traditional name
11-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}undecanoic acid
Synonyms
Fmoc-11-aminoundecanoic acid
11-(Fmoc-amino)undecanoic acid
Fmoc-11-Aun-OH
11-(Fmoc-氨基)十一酸
CAS Number
88574-07-6
MDL Number
MFCD00235891
Beilstein Number
4887890
PubChem SID
24844919
161001797
PubChem CID
4393960

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4393960 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.9520197  H Acceptors
H Donor LogD (pH = 5.5) 5.458402 
LogD (pH = 7.4) 3.699267  Log P 6.1142073 
Molar Refractivity 121.7446 cm3 Polarizability 48.740627 Å3
Polar Surface Area 75.63 Å2 Rotatable Bonds 14 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
TSCA Listed
false expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98.0% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C26H33NO4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 04068 external link
Other Notes
Alkyl spacer employed in peptide synthesis.1,2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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