6-Maleimidohexanoic acid
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Grundinformationen
- CAS
55750-53-3- Standard-SMILES
O=C(O)CCCCCN1C(=O)C=CC1=O- InChIKey
WOJKKJKETHYEAC-UHFFFAOYSA-N- Summenformel
- C10H13NO4
- Durchschnittliche Molmasse
- 211,21 g/mol
- Monoisotopische Masse
- 211,0844579
Namen und Bezeichner
- Bevorzugter Name
- 6-Maleimidohexanoic acid
- IUPAC
- 6-(2,5-dioxopyrrol-1-yl)hexanoic acid
- Englischer Name
- 6-Maleimidocaproic acid
- Summenformel
- C10H13NO4
- Molmasse
- 211.21
Namen und Synonyme
6-Maleimidocaproic acid6-Maleimidohexanoic acidRefChem:543501611-311-155750-53-36-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoic acid6-Maleimidocapronic acid1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-6-(2,5-dioxopyrrol-1-yl)hexanoic acidMFCD00043140Maleimide-(CH2)5-COOHN-(5-Carboxypentyl)maleimide
Weitere Namen anzeigen
EMCA6-(2,5-Dioxo-2H-pyrrol-1(5H)-yl)hexanoic acidMalHex6-MaleimidocaproicAciMal-(CH2)5-COOH (EMCA)
N-Maleoyl-6-aminocaproic acidSCHEMBL43969CHEMBL47391CS-M1809N-(6-oxo-6-hydroxyhexyl)maleimideBP-20415PD127389SY030571
Datenbank-Bezeichner
- CAS
55750-53-3- PubChem CID
- 573683
- DTXSID
DTXSID10876051- ChEMBL
CHEMBL47391- ChEBI
CHEBI:176414- EC Number
- 611-311-1
- Nikkaji
- J685.630F
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 1,1
- Polarare Oberfläche (TPSA)
- 74,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 291
Physikochemische Eigenschaften
- Schmelzpunkt
- 86 · 86-91 °C
- Siedepunkt
- 407.3 · 407.3±28.0 °C(Predicted)
- Dichte
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO (Slightly), Ethyl Acetate (Slightly)
- Aggregatzustand
- Powder
- pka
- 4.74 · 4.74±0.10(Predicted)
- Farbe
- White to pale yellow
- Wasserlöslichkeit
- Soluble in water, methanol, ethanol, dimethyl sulfoxide. Insoluble in ether.
- BRN
- 1532405 · 1532405
- InChI
- InChI=1S/C10H13NO4/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15/h5-6H,1-4,7H2,(H,14,15)
- InChIKey
- WOJKKJKETHYEAC-UHFFFAOYSA-N
- SMILES
- N1(CCCCCC(O)=O)C(=O)C=CC1=O
- CAS Datenbank
- 55750 · 55750-53-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (73.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 56 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (73.2%)；Eye Irrit. 2 (25%)；STOT SE 3 (98.2%)
Sicherheitsdaten
- F
- 10-21
- wgk
- 3
- hs_code
- 29251900
- risk_code
- 36/37/38-41-37/38
- hazard_code
- Xi
- safety_code
- 26-36-39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
Chemie und Industrie
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: 6-Maleimidocaproic acid is a medium-chain fatty acid. It contains a maleimide group and a terminal carboxylic acid. The terminal carboxylic acid can react with primary amine groups in the presence of activators (e.g. EDC, or HATU) to form a stable amide bond. The maleimide group will react with a thiol group to form a covalent bond, enabling the connection of biomolecule with a thiol.
Zugehörige Reaktionen
18
Notizen zur Verbindung
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