N-Hydroxynorborn-5-en-2,3-dicarboximid
3a,4,7,7a-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione
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Grundinformationen
- CAS
21715-90-2- Standard-SMILES
O=C1C2C3C=CC(C3)C2C(=O)N1O- InChIKey
ZUSSTQCWRDLYJA-UHFFFAOYSA-N- Summenformel
- C9H9NO3
- Durchschnittliche Molmasse
- 179,17 g/mol
- Monoisotopische Masse
- 179,05824315
Überblick
reagent used in peptide synthesis; structure
Namen und Bezeichner
- Bevorzugter Name
- 3a,4,7,7a-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dione
- IUPAC
- 4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
- Lokaler Name
- N-Hydroxynorborn-5-en-2,3-dicarboximid
- Englischer Name
- N-Hydroxy-5-norbornene-2,3-dicarboximide
- Summenformel
- C9H9NO3
- Molmasse
- 179.17
Namen und Synonyme
21715-90-2N-Hydroxy-5-norbornene-2,3-dicarboximideDTXSID608851784,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-hydroxy-RefChem:8301273a,4,7,7a-Tetrahydro-2-hydroxy-4,7-methano-1H-isoindole-1,3(2H)-dioneDTXCID401024572244-538-62-hydroxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dioneHONB4-hydroxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione4-Hydroxy-4-azatricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione
Weitere Namen anzeigen
N-HYDROXY-5-NORBORNENE-2,3-DICARBOXYLIC ACID IMIDEHONB N-HYDROXY-5-NORBORNENE-2.3-DICARBOXYLIMIDEN-HYDROXY-5-NORBORNENE-2,3-DICARBOXYLIMIDEN-HYDROXY-5-NORBORNENE-2,3-DICARBOXIMIDE (HONB)N-Hydroxy-5-norborneLABOTEST-BB LT00112336Endo-N-Hydroxy-5-Norbornene-2,N-Hydroxynorborna-5-ene-2,3-dicarbimide
SCHEMBL6052Oprea1_006565N-Hydroxy-5-norbornene-2.3-dicarboxylic imideNSC12953EINECS 244-538-6MFCD00167583NSC-12953N-Hydroxybicyclo[2.2.1]-5-heptene-2,3-dicarboximide
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -0,2
- Polarare Oberfläche (TPSA)
- 57,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 306
Physikochemische Eigenschaften
- Schmelzpunkt
- 165 · 165-170 °C (lit.)
- Siedepunkt
- 311.69 °C · 311.69°C (rough estimate)
- Dichte
- 1.2822 · 1.2822 (rough estimate)
- Brechungsindex
- 1.56 · 1.5600 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- Soluble in ethanol
- pka
- 9 · 9.00±0.20(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Off-White
- BRN
- 13540 · 13540
- InChI
- InChI=1S/C9H9NO3/c11-8-6-4-1-2-5(3-4)7(6)9(12)10(8)13/h1-2,4-7,13H,3H2
- InChIKey
- ZUSSTQCWRDLYJA-UHFFFAOYSA-N
- SMILES
- C1(=O)C2C(C3CC2C=C3)C(=O)N1O
- CAS Datenbank
- 21715 · 21715-90-2(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-hydroxy- (21715-90-2)
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
This chemical does not meet GHS hazard criteria for 4.2% (2 of 48) of reports.
Warning
H315 (95.8%): 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 17-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23986
4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-hydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (95.8%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29280090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-hydroxy-: ACTIVE
Anwendungen
BeschreibungN-Hydroxy-5-norbornene-2,3-dicarboximide (NHD) is a compound that has antiviral activity and is used to treat HIV infections. It inhibits the reverse transcriptase enzyme in the virus, which blocks the synthesis of viral DNA. The ferroelectric properties of NHD were first observed by observing changes in its melting point when mixed with water. This property makes it useful for diagnosis purposes. In animal studies, a dose of 5 mg/kg was found to be effective against cancer cells and the drug showed no toxicity in humans at doses up to 500 mg/day. The optimal reaction conditions for NHD are pH 6 and temperature 45 degrees Celsius.
VerwendenN-Hydroxy-5-norbornene-2,3-dicarboximide(HONB) is used in solution-phase peptide synthesis. Used in the synthesis of enkephalin analogs.
Zugehörige Reaktionen
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