-
Name
6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine
- EINECS
- CAS No. 18184-75-3
- Article Data21
- CAS DataBase
- Density 1.368 g/cm3
- Solubility
- Melting Point 154-156°C
- Formula C14H10N2O2
- Boiling Point 418.943 °C at 760 mmHg
- Molecular Weight 238.246
- Flash Point 207.17 °C
- Transport Information
- Appearance Off-white solid
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2,3-Pyridinedicarboximide,N-benzyl- (6CI,8CI);NSC151664;
- PSA 50.27000
- LogP 1.81570
6-Benzyl-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione Specification
The IUPAC name of 6-Benzyl-5H-pyrrolo[3,4-beta]pyridine-5,7(6H)-dione is 6-benzylpyrrolo[3,4-b]pyridine-5,7-dione. With the CAS registry number 18184-75-3, it is also named as N-Benzyl-2,3-pyridinedicarboximide. The product's categories are Aromatics; Heterocycles. In addition, its molecular formula is C14H10N2O2 and its molecular weight is 238.24. It is off-white solid.
The other characteristics of 6-Benzyl-5H-pyrrolo[3,4-beta]pyridine-5,7(6H)-dione can be summarized as: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 50.27 Å2; (7)Index of Refraction: 1.668; (8)Molar Refractivity: 64.9 cm3; (9)Molar Volume: 174.1 cm3; (10)Polarizability: 25.72×10-24cm3; (11)Surface Tension: 67.2 dyne/cm; (12)Density: 1.368 g/cm3; (13)Flash Point: 207.2 °C; (14)Enthalpy of Vaporization: 67.26 kJ/mol; (15)Boiling Point: 418.9 °C at 760 mmHg; (16)Vapour Pressure: 3.16E-07 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C2c1cccnc1C(=O)N2Cc3ccccc3
(2)InChI: InChI=1/C14H10N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-8H,9H2
(3)InChIKey: DWUBVULEMQOCPO-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C14H10N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-8H,9H2
(5)Std. InChIKey: DWUBVULEMQOCPO-UHFFFAOYSA-N
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View