3-(3,4-Dimethoxyphenyl)propanenitrile supplier

Name
3-(3,4-Dimethoxyphenyl)propanenitrile
EINECS
CAS No. 49621-56-9
Article Data11
CAS DataBase
Density 1.061 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃NO₂
Boiling Point 334.5 °C at 760 mmHg
Molecular Weight 191.23
Flash Point 130 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenepropanenitrile, 3,4-dimethoxy-;
PSA
LogP

3-(3,4-Dimethoxyphenyl)propanenitrile Specification

The 3-(3,4-Dimethoxyphenyl)propanenitrile with CAS registry number of 49621-56-9 is also known as Benzenepropanenitrile, 3,4-dimethoxy- . Its IUPAC name is 3-(3,4-dimethoxyphenyl)propanenitrile. In addition, the formula is C₁₁H₁₃NO₂ and the molecular weight is 191.23.

Physical properties about this chemical are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 42.25Å²; (7)Index of Refraction: 1.508; (8)Molar Refractivity: 53.7 cm³; (9)Molar Volume: 180.1 cm³; (10)Polarizability: 21.29×10^-24cm³; (11)Surface Tension: 37.3 dyne/cm; (12)Density: 1.061 g/cm³; (13)Flash Point: 130 °C; (14)Enthalpy of Vaporization: 57.75 kJ/mol; (15)Boiling Point: 334.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000127 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: N#CCCc1cc(OC)c(OC)cc1
2. InChI: InChI=1/C11H13NO2/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h5-6,8H,3-4H2,1-2H3
3. InChIKey: LECKQPWCSYMCDR-UHFFFAOYAP
4. Std. InChI: InChI=1S/C11H13NO2/c1-13-10-6-5-9(4-3-7-12)8-11(10)14-2/h5-6,8H,3-4H2,1-2H3
5. Std. InChIKey: LECKQPWCSYMCDR-UHFFFAOYSA-N

Product Name

3-(3,4-Dimethoxyphenyl)propanenitrile

3-(3,4-Dimethoxyphenyl)propanenitrile Specification

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