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| CAS No.: | 73718-09-9 |
|---|---|
| Name: | 3-[4-(DIMETHYLAMINO)PHENYL]PROPANOIC ACID |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C11H15NO2 |
| Molecular Weight: | 193.246 |
| Synonyms: | CHEMBRDG-BB 4013887;AKOS BB-9212;3-[4-(DIMETHYLAMINO)PHENYL]PROPANOIC ACID;3-(4-DIMETHYLAMINO-PHENYL)-PROPIONIC ACID;3-[4-(dimethylamino)phenyl]propanoic acid hydrochloride;benzenepropanoic acid, 4-(dimethylamino)-;3-[4-(dimethylamino)phenyl]propanoic acid(SALTDATA: HCl) |
| Density: | 1.127 g/cm3 |
| Melting Point: | 184-185 °C |
| Boiling Point: | 341.6 °C at 760 mmHg |
| Flash Point: | 160.4 °C |
| PSA: | 40.54000 |
| LogP: | 1.76980 |
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Specification
This chemical is called 3-[4-(Dimethylamino)phenyl]propanoic acid, and it can also be named as Benzenepropanoic acid,4-(dimethylamino)-. With the molecular formula of C11H15NO2, its molecular weight is 193.24. The CAS registry number of this chemical is 73718-09-9.
Other characteristics of the 3-[4-(Dimethylamino)phenyl]propanoic acid can be summarised as followings: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.84; (4)ACD/LogD (pH 7.4): -0.66; (5)ACD/BCF (pH 5.5): 1.39; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 21.31; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 56.31 cm3; (15)Molar Volume: 171.3 cm3; (16)Polarizability: 22.32×10-24cm3; (17)Surface Tension: 46.4 dyne/cm; (18)Density: 1.127 g/cm3; (19)Flash Point: 160.4 °C; (20)Enthalpy of Vaporization: 61.77 kJ/mol; (21)Boiling Point: 341.6 °C at 760 mmHg; (22)Vapour Pressure: 3.06E-05 mmHg at 25°C.
Production method of this chemical: The 3-[4-(Dimethylamino)phenyl]propanoic acid could be obtained by the reactant of 3-(4-dimethylamino-phenyl)-proπonitrile. This reaction needs the reagents of conc. H2SO4, H2O. The yield is 43.3 %. In addition, this reaction should be taken for 30 minutes. The other condition is heating.
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You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CCc1ccc(N(C)C)cc1
2.InChI: InChI=1/C11H15NO2/c1-12(2)10-6-3-9(4-7-10)5-8-11(13)14/h3-4,6-7H,5,8H2,1-2H3,(H,13,14)
3.InChIKey: YEETZXRKMHAPRM-UHFFFAOYAM