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CAS No.: | 760919-39-9 |
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Name: | 1H-Pyrrolo[2,3-c]pyridine,2,3-dihydro-(9CI) |
Molecular Structure: | |
Formula: | C7H8N2 |
Molecular Weight: | 120.15182 |
Synonyms: | 2,3-dihydro-1H-pyrrolo[2,3-c]pyridine;1H-Pyrrolo[2,3-c]pyridine,2,3-dihydro-(9CI); |
Density: | 1.115 g/cm3 |
Boiling Point: | 240.108 °C at 760 mmHg |
Flash Point: | 99.014 °C |
PSA: | 24.92000 |
LogP: | 1.18760 |
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The 1H-Pyrrolo[2,3-c]pyridine,2,3-dihydro-, with the CAS registry number 760919-39-9, has the systematic nane and IUPAC name of 2,3-dihydro-1H-pyrrolo[2,3-c]pyridine. It belongs to the product categories of Pyrrolidine and Pharmaceutical Intermediate. And the molecular formula of the chemical is C7H8N2.
The characteristics of 1H-Pyrrolo[2,3-c]pyridine,2,3-dihydro- are as followings: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3; (6)ACD/KOC (pH 7.4): 15; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 24.92 Å2; (11)Index of Refraction: 1.568; (12)Molar Refractivity: 35.255 cm3; (13)Molar Volume: 107.781 cm3; (14)Polarizability: 13.976×10-24cm3; (15)Surface Tension: 45.819 dyne/cm; (16)Density: 1.115 g/cm3; (17)Flash Point: 99.014 °C; (18)Enthalpy of Vaporization: 47.702 kJ/mol; (19)Boiling Point: 240.108 °C at 760 mmHg; (20)Vapour Pressure: 0.039 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cncc2NCCc12
(2)InChI: InChI=1/C7H8N2/c1-3-8-5-7-6(1)2-4-9-7/h1,3,5,9H,2,4H2
(3)InChIKey: JIEZEWWXWYGFRD-UHFFFAOYAJ