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| CAS No.: | 122908-18-3 |
|---|---|
| Name: | 2-Methylamino-5-chlorophenylcyclohexylmethanone |
| Molecular Structure: | |
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| Formula: | C14H18ClNO |
| Molecular Weight: | 251.75 |
| Synonyms: | 5-CHLORO-2-(METHYLAMINOPHENYL)-CYCLOHEXYLMETHANONE;2-Methylamino-5-chlorophenylcyclohexylmethanone |
| Density: | 1.171 g/cm3 |
| Melting Point: | 203.5 °C |
| Boiling Point: | 412.9 °C at 760 mmHg |
| PSA: | 29.10000 |
| LogP: | 4.21770 |
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Specification
The cas register number of 2-Methylamino-5-chlorophenylcyclohexylmethanone is 122908-18-3. It also can be called as [5-Chloro-2-(methylamino)phenyl](cyclohexyl)methanone and the Systematic name about this chemical is methanone, [5-chloro-2-(methylamino)phenyl]cyclohexyl-.
Physical properties about 2-Methylamino-5-chlorophenylcyclohexylmethanone are: (1)ACD/LogP: 5.33 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 5.33 ; (4)ACD/LogD (pH 7.4): 5.33 ; (5)ACD/BCF (pH 5.5): 6645.39; (6)ACD/BCF (pH 7.4): 6650; (7)ACD/KOC (pH 5.5): 18952.44; (8)ACD/KOC (pH 7.4): 18965.58; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.1Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 71.82 cm3; (15)Molar Volume: 214.8 cm3; (16)Surface Tension: 44.4 dyne/cm; (17)Density: 1.171 g/cm3; (18)Flash Point: 203.5 °C; (19)Enthalpy of Vaporization: 66.56 kJ/mol; (20)Boiling Point: 412.9 °C at 760 mmHg; (21)Vapour Pressure: 5E-07 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: CNc1ccc(cc1C(=O)C2CCCCC2)Cl
2.InChI: InChI=1/C14H18ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h7-10,16H,2-6H2,1H3
3.InChIKey: SMTHIAYVTVYCMB-UHFFFAOYAD
4.Std. InChI: InChI=1S/C14H18ClNO/c1-16-13-8-7-11(15)9-12(13)14(17)10-5-3-2-4-6-10/h7-10,16H,2-6H2,1H3.