Benzonitrile,4-(1-pyrrolidinyl)- supplier

Name
4-(1-PYRROLIDINYL)BENZONITRILE
EINECS
CAS No. 10282-30-1
Article Data44
CAS DataBase
Density 1.12 g/cm³
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
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;
PSA 27.03000
LogP 2.22348

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^-24cm³; (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

Product Name

4-(1-PYRROLIDINYL)BENZONITRILE

Benzonitrile,4-(1-pyrrolidinyl)- Specification

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