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CAS No.: | 13691-22-0 |
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Name: | 1-(4-Aminophenyl)pyrrolidin-2-one |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C10H12N2O |
Molecular Weight: | 176.218 |
Synonyms: | 2-Pyrrolidinone, 1-(4-aminophenyl)-;Pyrrolidin-2-one, 1-(4-aminophenyl)-;1-(4-Aminophenyl)-2-pyrrolidone; |
EINECS: | 275-416-0 |
Density: | 1.234 g/cm3 |
Melting Point: | 122-123℃ |
Boiling Point: | 462.2 °C at 760 mmHg |
Flash Point: | 233.3 °C |
PSA: | 46.33000 |
LogP: | 2.04180 |
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The IUPAC name of this chemical is 1-(4-Aminophenyl)pyrrolidin-2-one. With the CAS registry number 13691-22-0, it is also named as 2-pyrrolidinone, 1-(4-aminophenyl)-. In addition, the molecular formula is C10H12N2O and the molecular weight is 176.22. What's more, it should be stored in sealed container, and put in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 0.11; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 23.55 Å2; (6)Index of Refraction: 1.63; (7)Molar Refractivity: 50.82 cm3; (8)Molar Volume: 142.7 cm3; (9)Polarizability: 20.14 ×10-24cm3; (10)Surface Tension: 57.9 dyne/cm; (11)Density: 1.234 g/cm3; (12)Flash Point: 233.3 °C; (13)Enthalpy of Vaporization: 72.32 kJ/mol; (14)Boiling Point: 462.2 °C at 760 mmHg; (15)Vapour Pressure: 1.01E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N(c1ccc(N)cc1)CCC2
(2)InChI: InChI=1/C10H12N2O/c11-8-3-5-9(6-4-8)12-7-1-2-10(12)13/h3-6H,1-2,7,11H2
(3)InChIKey: IOMOVAPYJQVJDK-UHFFFAOYAF