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| CAS No.: | 66564-14-5 |
|---|---|
| Name: | CINITAPRIDE HYDROGEN TARTRATE |
| Molecular Structure: | |
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| Formula: | C21H30 N4 O4 |
| Molecular Weight: | 552.57 |
| Synonyms: | Cinitapride; |
| Density: | 1.24 |
| Boiling Point: | 579.8°C at 760 mmHg |
| Flash Point: | 304.5°C |
| PSA: | 113.41000 |
| LogP: | 4.55940 |
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Specification
The Cinitapride, with the CAS registry number 66564-14-5,is also known as 4-Amino-N-[1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl]-2-ethoxy-5-nitrobenzamide. It belongs to the product categories of Intermediates & Fine Chemicals;Pharmaceuticals. This chemical's molecular formula is C21H30N4O4 and molecular weight is 402.49. What's more,Its systematic name is 4-Amino-N-(1-(3-cyclohexen-1-ylmethyl)-4-piperidyl)-2-ethoxy-5-nitrobenzamide.
Physical properties about Cyclopentadiene are:
(1)D/LogP: 3.764; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.00; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 29.23; (7)ACD/KOC (pH 5.5): 4.54; (8)ACD/KOC (pH 7.4): 181.88; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.603; (13)Molar Refractivity: 111.028 cm3; (14)Molar Volume: 323.249 cm3; (15)Surface Tension: 58.1279983520508 dyne/cm; (16)Density: 1.245 g/cm3; (17)Flash Point: 304.471 °C; (18)Enthalpy of Vaporization: 86.746 kJ/mol; (19)Boiling Point: 579.832 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:[O-][N+](=O)c1cc(c(OCC)cc1N)C(=O)NC3CCN(CC2CC\C=C/C2)CC3;
(2)Std. InChI:InChI=1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26);
(3)Std. InChIKey:ZDLBNXXKDMLZMF-UHFFFAOYSA-N.