HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Dehydroevodiamine
dehydrovodiamine · Dehydroevodiamine · Dehydroevodiamine (Standard) · 14-Methyl-5(7H)-oxo-8,13-dihydroindolo[2',3':3,4]pyrido[2,1-b]quinazoline-14-ium · 8,13-Dihydro-14-methyl-5-oxoindolo[2',3':3,4]pyrido[2,1-b]quinazolinium inner salt · 5,7,8,13-Tetrahydro-14-methyl-5-oxoindolo[2',3':3,4]pyrido[2,1-b]quinazolin-14-ium · 14-Methyl-5-oxo-7,8-dihydro-5H-indolo[2',3':3,4]pyrido[2,1-b]quinazolin-14-ium-13-ide · Indolo[2',3':3,4]pyrido[2,1-b]quinazolinium,8,13-dihydro-14-methyl-5-oxo-, inner salt
Identifikatoren & physikalische Daten
| CAS No. | 67909-49-3 |
|---|---|
| Summenformel | C19H15N3O |
| Durchschnittliche Molmasse | 301,3 g/mol |
| Monoisotopische Masse | 301,12151211 g/mol |
| SMILES | CN1C2=C3N=c4ccccc4=C3CCN2C(=O)c2ccccc21 |
| InChIKey | VXHNSVKJHXSKKM-UHFFFAOYSA-N |
| PubChem CID | 9817839 |
| ChEMBL | CHEMBL81923 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 753 |
| Schmelzpunkt | 190-192℃ |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| Aggregatzustand | powder |
| Farbe | Yellow |
| InChI | InChI=1S/C19H15N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9H,10-11H2,1H3 |
| InChIKey | VXHNSVKJHXSKKM-UHFFFAOYSA-N |
| SMILES | O=C1C2C=CC=CC=2[N+](C)=C2C3=C(CCN12)C1C=CC=CC=1[N-]3 |