11-Mercaptoundecanoic Acid

HCID 543502CAS 71310-21-9

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Grundinformationen

Standard-SMILES: O=C(O)CCCCCCCCCCS
InChIKey: GWOLZNVIRIHJHB-UHFFFAOYSA-N
Summenformel: C11H22O2S
Durchschnittliche Molmasse: 218,36 g/mol
Monoisotopische Masse: 218,13405094

Namen und Bezeichner

Bevorzugter Name: 11-Mercaptoundecanoic Acid
IUPAC: 11-sulfanylundecanoic acid
Englischer Name: 11-Mercaptoundecanoic acid
Summenformel: C11H22O2S
Molmasse: 218.36

Namen und Synonyme

11-Mercaptoundecanoic acid71310-21-911-Sulfanylundecanoic acidDTXSID00337585RefChem:77925DTXCID90288673615-278-4Undecanoic acid, 11-mercapto-MFCD0002209611-mercaptoundecanoicacidUndecanoic acid,11-mercapto-NanoThinks? ACID11

Weitere Namen anzeigen

MUDAMUNDAMUA,MUDANANOTHINKS ACID11nanothinkstm acid11NANOTHINKS(R) ACID1111-Mercandecanoic acid10-Carboxy-1-Decanethiol11-sulfanylundecanoicaci10-Caroboxy-1-decanethiol

MUA, MUDA11-Sulfanylundecanoic acid #SCHEMBL111144orb293987211-Mercaptoundecanoic acid, 95%11-Mercaptoundecanoic acid, 98%11-Mercaptoundecanoic acid solutionSTL323763

Datenbank-Bezeichner

CAS: 71310-21-9
PubChem CID: 543502
DTXSID: DTXSID00337585
EC Number: 615-278-4
Nikkaji: J524.170G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4
Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 10
Schwere Atome: 14
Formalladung: 0
Komplexität: 137

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

Schmelzpunkt: 46 · 46-50 °C (lit.)
Siedepunkt: 159 °C · 159 °C(Press: 1 Torr)
Dichte: 0.998 · 0.998±0.06 g/cm3(Predicted)
Flammpunkt: 110 °C · 110 °C
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
pka: 4.78 · 4.78±0.10(Predicted)
Aggregatzustand: Solid
Farbe: White to Off-White
InChI: InChI=1S/C11H22O2S/c12-11(13)9-7-5-3-1-2-4-6-8-10-14/h14H,1-10H2,(H,12,13)
InChIKey: GWOLZNVIRIHJHB-UHFFFAOYSA-N
SMILES: C(O)(=O)CCCCCCCCCCS

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 3335
hs_code: 29309090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenMUA is used for the carboxylic acid functionalization of 1-dodecanethiol-protected gold nanoparticles (AuNPs) by Murray place-displacement reaction generally utilized in biomedical applications. It can also be used to modify the surface of platinum nanoparticles (PtNPs) by creating a ligand nano-assembly with a high surface coverage for use in surface-enhanced Raman spectroscopy (SERS). A single cell biochip platform can be developed utilizing a cell attachment technique with MUA forming a SAM that was attached to single cells. MUA may be used to prepare a tetrafluorophenyl-activated ester self-assembled monolayer to immobilize amine-modified oligonucleotides and DNA. It is also used to create 3D-assembled gold nanostructures for plasmonic biosensors.