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128740-13-6

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Basic Information
CAS No.: 128740-13-6
Name: 6-BENZYL-5,7-DIOXO-OCTAHYDROPYRROLO[3,4-B] PYRIDINE
Molecular Structure:
Molecular Structure of 128740-13-6 (6-BENZYL-5,7-DIOXO-OCTAHYDROPYRROLO[3,4-B] PYRIDINE)
Formula: C14H16N2O2
Molecular Weight: 244.29
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;
EINECS: 1312995-182-4
Density: 1.227 g/cm3
Boiling Point: 468.538 °C at 760 mmHg
Flash Point: 237.164 °C
PSA: 49.41000
LogP: 1.19030
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    6-Benzyl-5,7-dioxo-octahydropyrrolo[3,4-b] pyridine

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    128740-13-6

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

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

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    128740-13-6

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

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Chemistry

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

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 .