Octahydroindole-2-carboxylic acid
Grundinformationen
- CAS
108507-42-2- Standard-SMILES
O=C(O)C1CC2CCCCC2N1- InChIKey
CQYBNXGHMBNGCG-UHFFFAOYSA-N- Summenformel
- C9H15NO2
- Durchschnittliche Molmasse
- 169,22 g/mol
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- Octahydroindole-2-carboxylic acid
- IUPAC
- 2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
- Englischer Name
- (R)Octahydro-1H-indole-2-carboxylic acid
- Summenformel
- C9H15NO2
- Molmasse
- 169.22
Namen und Synonyme
Octahydroindole-2-Carboxylic AcidRefChem:928114octahydro-1H-indole-2-carboxylic acid82717-40-680828-13-3Octahydro-indole-2-carboxylic acidL-Octahydroindole-2-carboxylic acid2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic AcidMFCD00171406108507-42-2(2R,3aR,7aR)-rel-OctahydroIndole-2-carboxylic AcidD-Octahydroindole-2-carboxylic acid
Weitere Namen anzeigen
D-Oic-OHPerindopril Impurity 08Perindopril Impurity 39Perindopril Impurity 24Perindopril Related Compound 6(2R)-Octahydroindole-2-carboxylic acid(R)Octahydro-1H-indole-2-carboxylic acid(2R)-octahydro-1H-indole-2-carboxylic acid(2R, 3aR,7aR)-Octahydro-indole-2-carboxylic acid1H-Indole-2-carboxylic acid, octahydro-, (2R,3aR,7aR)-
1H-Indole-2-carboxylicacid,octahydro-(9CI)rel-(2S, 3aR,7aR)-Octahydro-indole-2-carboxylic acidSCHEMBL444971H-Indole-2-carboxylic acid, octahydro-, (2R,3aR,7aR)-rel-2-perhydroindolecarboxylic acidCS-WAA0106SCHEMBL1414032SCHEMBL2319669
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1
- Polarare Oberfläche (TPSA)
- 49,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 193
Physikochemische Eigenschaften
- Siedepunkt
- 318.6 · 318.6±25.0 °C(Predicted)
- Dichte
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 2.47 · 2.47±0.20(Predicted)
Chemie und Industrie
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