Amino-PEG4-acid

HCID 22731902

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Grundinformationen

CAS: 663921-15-1
Standard-SMILES: NCCOCCOCCOCCOCCC(=O)O
InChIKey: DKUZHSDZSMQOGQ-UHFFFAOYSA-N
Summenformel: C11H23NO6
Durchschnittliche Molmasse: 265,3 g/mol
Monoisotopische Masse: 265,15253745

Namen und Bezeichner

Bevorzugter Name: Amino-PEG4-acid
IUPAC: 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
Englischer Name: Amino-PEG4-acid
Summenformel: C11H23NO6
Molmasse: 265.3

Namen und Synonyme

Amino-PEG4-acidRefChem:557522828-940-4663921-15-11-Amino-3,6,9,12-tetraoxapentadecan-15-oic acidH2N-PEG4-CH2CH2COOHAmino-dPEG4-acidNH2-PEG4-COOH(PEO)4-amino-propionic acidMFCD110411293-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoic acid3-Amino(peg4)propionic acid

Weitere Namen anzeigen

NH2-PEG4-PA3-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy]ethoxy]propionic acidH2N-PEG4-COOHAmino-PEG4-COOHAMINE-PEG4-COOH

NH2-PEG4-CH2CH2COOH1-Amino-3,6,9,12-tetraoxa-15-pentadecanoic AcidC11H23NO6AKOS01601356915-amino-4,7,10,13-tetraoxapentadecanoic acid(PEO)4-Aminopropionic acid3-[2-[2-[2-(2-Aminoethoxy)ethoxy]ethoxy] ethoxy]propionic acidAmino-PEG4-propionic acid

Datenbank-Bezeichner

CAS: 663921-15-1
PubChem CID: 22731902
DTXSID: DTXSID10627909
EC Number: 828-940-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -4,1
Polarare Oberfläche (TPSA): 100 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 14
Schwere Atome: 18
Formalladung: 0
Komplexität: 190

Physikochemische Eigenschaften

Siedepunkt: 409.6 · 409.6±40.0 °C(Predicted)
Dichte: 1.134 · 1.134±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: soluble in water
pka: 4.28 · 4.28±0.10(Predicted)
Aggregatzustand: powder
Farbe: White
InChI: InChI=1S/C11H23NO6/c12-2-4-16-6-8-18-10-9-17-7-5-15-3-1-11(13)14/h1-10,12H2,(H,13,14)
InChIKey: DKUZHSDZSMQOGQ-UHFFFAOYSA-N
SMILES: C(O)(=O)CCOCCOCCOCCOCCN

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2942000090

Chemie und Industrie

Anwendungen

VerwendenH2N-Dpeg(4)-COOH, can be used in optical imaging of integrin αvβ3 expression with near-infrared fluorescent RGD dimer with tetra(ethylene glycol) linkers. Integrin αvβ3 plays great roles in tumor angiogenesis, invasion, and metastasis.