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Cas Database |
| Name |
Benzonitrile,4-(1-pyrrolidinyl)- |
EINECS | N/A |
| CAS No. | 10282-30-1 | Density | 1.12 g/cm3 |
| PSA | 27.03000 | LogP | 2.22348 |
| Solubility | at 25 deg C (mg/L): 201.2 | Melting Point |
200 °C |
| Formula | C11H12N2 | Boiling Point | 335.4 °C at 760 mmHg |
| Molecular Weight | 172.23 | Flash Point | 150.5 °C |
| Transport Information | N/A | Appearance | White solid |
| Safety | Risk Codes | 22 | |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
p-N-Pyrrolidinobenzonitrile;Benzonitrile,p-1-pyrrolidinyl- (7CI,8CI);N-(4-Cyanophenyl)pyrrolidine;4-(N-Pyrrolidinyl)benzonitrile;4-Pyrrolidinobenzonitrile;4-(1-Pyrrolidinyl)benzonitrile; |
Article Data | 44 |
Benzonitrile,4-(1-pyrrolidinyl)- 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
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