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| CAS No.: | 175591-23-8 |
|---|---|
| Name: | 3-(1-dimethylamino-2-methyl-pentan-3-yl)phenol |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C14H23NO |
| Molecular Weight: | 221.343 |
| Synonyms: | Phenol,3-[3-(dimethylamino)-1-ethyl-2-methylpropyl]-, [R-(R*,R*)]-;BN 200;CG 5503;3-((1R,2R)-3-(Dimethylamino)-1-ethyl-2-methylpropyl)phenol;Nucynta; |
| Density: | 0.97 g/cm3 |
| Boiling Point: | 323.493 °C at 760 mmHg |
| Flash Point: | 134.18 °C |
| PSA: | 23.47000 |
| LogP: | 3.08350 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Specification
The Tapentadol with CAS registry number of 175591-23-8 is also known as Phenol, 3-((1R,2R)-3-(dimethylamino)-1-ethyl-2-methylpropyl)-. The IUPAC name is 3-[(2R,3R)-1-(Dimethylamino)-2-methylpentan-3-yl]phenol. In addition, the formula is C14H23NO and the molecular weight is 221.34. This chemical is a centrally acting analgesic with a dual mode of action as an agonist at the μ-opioid receptor and as a norepinephrine reuptake inhibitor.
Physical properties about Tapentadol are: (1)ACD/LogP: 3.02; (2)ACD/LogD (pH 7.4): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 2; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 13; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 6; (10)Index of Refraction: 1.518; (11)Molar Refractivity: 69.164 cm3; (12)Molar Volume: 228.099 cm3; (13)Surface Tension: 36.154 dyne/cm; (14)Density: 0.97 g/cm3; (15)Flash Point: 134.18 °C; (16)Enthalpy of Vaporization: 58.792 kJ/mol; (17)Boiling Point: 323.493 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCC(C1=CC(=CC=C1)O)C(C)CN(C)C
2. Isomeric SMILES: CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C
3. InChI: InChI=1S/C14H23NO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3/t11-,14+/m0/s1
4. InChIKey: KWTWDQCKEHXFFR-SMDDNHRTSA-N