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| Name |
6-Benzyl-5,7-dioxooctahydropyrrolo[3,4-b]pyridine |
EINECS | 1312995-182-4 |
| CAS No. | 128740-13-6 | Density | 1.227 g/cm3 |
| PSA | 49.41000 | LogP | 1.19030 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H16N2O2 | Boiling Point | 468.538 °C at 760 mmHg |
| Molecular Weight | 244.29 | Flash Point | 237.164 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
6-benzyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione; 6-Benzyl-5,7-Dioxo-Octahydropyrrolo[3,4-b] Pyridine; 6-Benzyltetrahydro-1H-pyrrolo[3,4-b]pyridine-5,7(6H,7aH)-dione; |
6-Benzyl-5,7-dioxooctahydropyrrolo[3,4-b]pyridine Chemical Properties
Molecule structure of 6-Benzyl-5,7-dioxooctahydropyrrolo[3,4-b]pyridine (CAS NO.128740-13-6):
IUPAC Name: 6-Benzyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione
Molecular Weight: 244.28904 [g/mol]
Molecular Formula: C14H16N2O2
Index of Refraction: 1.585
Molar Refractivity: 66.677 cm3
Molar Volume: 199.081 cm3
Polarizability: 26.433×10-24 cm3
Surface Tension: 48.75 dyne/cm
Density: 1.227 g/cm3
Flash Point: 237.164 °C
Enthalpy of Vaporization: 73.073 kJ/mol
Boiling Point: 468.538 °C at 760 mmHg
XLogP3-AA: 0.9
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 4
Exact Mass: 244.121178
MonoIsotopic Mass: 244.121178
Topological Polar Surface Area: 49.4
Heavy Atom Count: 18
Canonical SMILES: C1CC2C(C(=O)N(C2=O)CC3=CC=CC=C3)NC1
InChI: InChI=1S/C14H16N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2
InChIKey of 6-Benzyl-5,7-dioxooctahydropyrrolo[3,4-b]pyridine (CAS NO.128740-13-6): RRBLNPCNHNHAFW-UHFFFAOYSA-N
6-Benzyl-5,7-dioxooctahydropyrrolo[3,4-b]pyridine Specification
6-Benzyl-5,7-dioxooctahydropyrrolo[3,4-b]pyridine (CAS NO.128740-13-6) is also called 6-benzyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione ; 6-benzyltetrahydro-1H-pyrrolo[3,4-b]pyridine-5,7(2H,6H)-dione .
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