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CAS No.: | 59646-16-1 |
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Name: | 6,7-Dihydro-5H-pyrrolo[1,2-a]imidazole |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H8N2 |
Molecular Weight: | 108.14 |
Synonyms: | 6,7-Dihydro-5H-pyrrolo[1,2-a]imidazole; |
Density: | 1.23 g/cm3 |
Boiling Point: | 260.8 °C at 760 mmHg |
Flash Point: | 111.5 °C |
PSA: | 17.82000 |
LogP: | 0.82930 |
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This chemical is called 5H-Pyrrolo[1,2-a]imidazole,6,7-dihydro-, and its systematic name is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole. With the molecular formula of C6H8N2, its molecular weight is 108.14. The CAS registry number of this chemical is 59646-16-1.
Other characteristics of the 5H-Pyrrolo[1,2-a]imidazole,6,7-dihydro- can be summarised as followings: (1)ACD/LogP: -0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.32; (4)ACD/LogD (pH 7.4): -0.77; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 5.27; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.657; (14)Molar Refractivity: 32.1 cm3; (15)Molar Volume: 87.2 cm3; (16)Polarizability: 12.72×10-24cm3; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 111.5 °C; (20)Enthalpy of Vaporization: 47.84 kJ/mol; (21)Boiling Point: 260.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0194 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1ccn2c1CCC2
2.InChI: InChI=1/C6H8N2/c1-2-6-7-3-5-8(6)4-1/h3,5H,1-2,4H2
3.InChIKey: ZWETXQBHVRWLPW-UHFFFAOYAC