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916420-29-6

Basic Information
CAS No.: 916420-29-6
Name: Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
Molecular Structure:
Molecular Structure of 916420-29-6 (Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate)
Formula: C10H14N2O2
Molecular Weight: 194.23
Synonyms: 1H-Pyrrolo[3,2-c]pyridine-2-carboxylic acid, 4,5,6,7-tetrahydro-, ethyl ester;AG-H-76370;
Density: 1.177 g/cm3
Boiling Point: 400.1 °C at 760 mmHg
Flash Point: 195.8 °C
PSA: 54.12000
LogP: 1.16590
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Specification

The Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate with CAS registry number of 916420-29-6 is also known as 1H-Pyrrolo[3,2-c]pyridine-2-carboxylic acid, 4,5,6,7-tetrahydro-, ethyl ester. The IUPAC name and product name are the same. It belongs to product categories of Chiral Chemicals. In addition, the formula is C10H14N2O2 and the molecular weight is 194.23.

Physical properties about Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate are: (1)ACD/LogP: 0.92; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Index of Refraction: 1.55; (6)Molar Refractivity: 52.61 cm3; (7)Molar Volume: 165 cm3; (8)Surface Tension: 46.3 dyne/cm; (9)Density: 1.177 g/cm3; (10)Flash Point: 195.8 °C; (11)Enthalpy of Vaporization: 65.1 kJ/mol; (12)Boiling Point: 400.1 °C at 760 mmHg; (13)Vapour Pressure: 1.3E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCOC(=O)C1=CC2=C(N1)CCNC2
2. InChI: InChI=1S/C10H14N2O2/c1-2-14-10(13)9-5-7-6-11-4-3-8(7)12-9/h5,11-12H,2-4,6H2,1H3
3. InChIKey: DLTWHLZZIAFDGB-UHFFFAOYSA-N