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CAS No.: | 36263-51-1 |
---|---|
Name: | 1-(4-METHOXYPHENYL)-1-CYCLOHEXANECARBONITRILE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C14H17NO |
Molecular Weight: | 215.295 |
Synonyms: | 1-(4-Methoxyphenyl)-1-cyclohexanecarbonitrile;1-(4-Methoxyphenyl)cyclohexanecarbonitrile;NSC 155171; |
EINECS: | 252-938-7 |
Density: | 1.06 g/cm3 |
Melting Point: | 40-45 °C |
Boiling Point: | 362 °C at 760 mmHg |
Flash Point: | 152.6 °C |
Appearance: | colorless to yellow-brown low melting solid |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22 |
Safety: | 24/25 |
Transport Information: | 3276 |
PSA: | 33.02000 |
LogP: | 3.42068 |
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The Cyclohexanecarbonitrile,1-(4-methoxyphenyl)-, with the CAS registry number 36263-51-1, is also known as 1-(4-Methoxyphenyl)cyclohexanecarbonitrile and 1-(4-Methoxyphenyl)-1-cyclohexanecarbonitrile. Its EINECS registry number is 252-938-7. This chemical's molecular formula is C14H17NO and molecular weight is 215.2909. What's more, its IUPAC name is 1-(4-Methoxyphenyl)cyclohexane-1-carbonitrile.
Physical properties about Cyclohexanecarbonitrile,1-(4-methoxyphenyl)- are: (1) ACD/LogP: 3.14; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.14; (4) ACD/LogD (pH 7.4): 3.14; (5) ACD/BCF (pH 5.5): 144.46; (6) ACD/BCF (pH 7.4): 144.46; (7) ACD/KOC (pH 5.5): 1223.34; (8) ACD/KOC (pH 7.4): 1223.34; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 33.02 Å2; (13) Index of Refraction: 1.538; (14) Molar Refractivity: 63.43 cm3; (15) Molar Volume: 202.7 cm3; (16) Polarizability: 25.14×10-24 cm3; (17) Surface Tension: 42.9 dyne/cm; (18) Density: 1.06 g/cm3; (19) Flash Point: 152.6 °C; (20) Enthalpy of Vaporization: 60.79 kJ/mol; (21) Boiling Point: 362 °C at 760 mmHg; (22) Vapour Pressure: 2E-05 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: N#CC2(c1ccc(OC)cc1)CCCCC2
(2) InChI: InChI=1/C14H17NO/c1-16-13-7-5-12(6-8-13)14(11-15)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
(3) InChIKey: YQXUSXSQFVWPRQ-UHFFFAOYAZ