4-(2-Oxo-1-pyrrolidinyl)benzaldehyde supplier

Name
4-(2-Oxo-1-pyrrolidinyl)benzaldehyde
EINECS
CAS No. 36151-45-8
Density 1.243g/cm³
Solubility
Melting Point 121 °C
Formula C₁₁H₁₁NO₂
Boiling Point 454.1 °C at 760 mmHg
Molecular Weight 189.214
Flash Point 234.6 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(2-Oxopyrrolidin-1-yl)benzaldehyde;
PSA 37.38000
LogP 1.69090

4-(2-Oxo-1-pyrrolidinyl)benzaldehyde Specification

The 4-(2-Oxo-1-pyrrolidinyl)benzaldehyde with cas registry number of 36151-45-8, has the systematic name of 4-(2-oxopyrrolidin-1-yl)benzaldehyde. And its IUPAC name is the same one. And it is also called Benzaldehyde, 4-(2-oxo-1-pyrrolidinyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): 0.81; (5)ACD/BCF (pH 5.5): 2.45; (6)ACD/BCF (pH 7.4): 2.45; (7)ACD/KOC (pH 5.5): 66.02; (8)ACD/KOC (pH 7.4): 66.02; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 53.34 cm³; (15)Molar Volume: 152.1 cm³; (16)Polarizability: 21.14×10^-24cm³; (17)Surface Tension: 54.3 dyne/cm; (18)Enthalpy of Vaporization: 71.37 kJ/mol; (19)Vapour Pressure: 1.95E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1ccc(cc1)N2C(=O)CCC2
(2)InChI: InChI=1/C11H11NO2/c13-8-9-3-5-10(6-4-9)12-7-1-2-11(12)14/h3-6,8H,1-2,7H2
(3)InChIKey: VADZUJOCSAESJS-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C11H11NO2/c13-8-9-3-5-10(6-4-9)12-7-1-2-11(12)14/h3-6,8H,1-2,7H2
(5)Std. InChIKey: VADZUJOCSAESJS-UHFFFAOYSA-N

Product Name

4-(2-Oxo-1-pyrrolidinyl)benzaldehyde

4-(2-Oxo-1-pyrrolidinyl)benzaldehyde Specification

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