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| CAS No.: | 10282-30-1 |
|---|---|
| Name: | 4-(1-PYRROLIDINYL)BENZONITRILE |
| Article Data: | 44 |
| Molecular Structure: | |
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| Formula: | C11H12N2 |
| Molecular Weight: | 172.23 |
| Synonyms: | p-N-Pyrrolidinobenzonitrile;Benzonitrile,p-1-pyrrolidinyl- (7CI,8CI);N-(4-Cyanophenyl)pyrrolidine;4-(N-Pyrrolidinyl)benzonitrile;4-Pyrrolidinobenzonitrile;4-(1-Pyrrolidinyl)benzonitrile; |
| Density: | 1.12 g/cm3 |
| Melting Point: | 200 °C |
| Boiling Point: | 335.4 °C at 760 mmHg |
| Flash Point: | 150.5 °C |
| Solubility: | at 25 deg C (mg/L): 201.2 |
| Appearance: | White solid |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 27.03000 |
| LogP: | 2.22348 |
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- Total:37 Page 1 of 1 1
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Specification
The Benzonitrile,4-(1-pyrrolidinyl)-, with the CAS registry number 10282-30-1, is also known as 4-(Pyrrolidin-1-yl)benzonitrile. This chemical's molecular formula is C11H12N2 and molecular weight is 172.23. What's more, its systematic name is 4-Pyrrolidin-1-ylbenzonitrile .
Physical properties of Benzonitrile,4-(1-pyrrolidinyl)- are: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 27.03 Å2; (7)Index of Refraction: 1.588; (8)Molar Refractivity: 51.67 cm3; (9)Molar Volume: 153.4 cm3; (10)Polarizability: 20.48×10-24 cm3; (11)Surface Tension: 50.1 dyne/cm; (12)Density: 1.12 g/cm3; (13)Flash Point: 150.5 °C; (14)Enthalpy of Vaporization: 57.85 kJ/mol; (15)Boiling Point: 335.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00012 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1)N2CCCC2
(2)InChI: InChI=1/C11H12N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h3-6H,1-2,7-8H2
(3)InChIKey: ZNMSYUCZLWETII-UHFFFAOYAI