6-Benzyl-5,7-dioxooctahydropyrrolo[3,4-b]pyridine supplier

Name
6-BENZYL-5,7-DIOXO-OCTAHYDROPYRROLO[3,4-B] PYRIDINE
EINECS 1312995-182-4
CAS No. 128740-13-6
Density 1.227 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₆N₂O₂
Boiling Point 468.538 °C at 760 mmHg
Molecular Weight 244.29
Flash Point 237.164 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 49.41000
LogP 1.19030

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^-24cm³
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 .

Product Name

6-BENZYL-5,7-DIOXO-OCTAHYDROPYRROLO[3,4-B] PYRIDINE

6-Benzyl-5,7-dioxooctahydropyrrolo[3,4-b]pyridine Chemical Properties

6-Benzyl-5,7-dioxooctahydropyrrolo[3,4-b]pyridine Specification

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