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CAS No.: | 916420-29-6 |
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Name: | Ethyl 4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate |
Molecular Structure: | |
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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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