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Cas Database |
| Name |
Neramexane Mesylate |
EINECS | N/A |
| CAS No. | 457068-92-7 | Density | N/A |
| PSA | 88.77000 | LogP | 4.22520 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H27NO3S | Boiling Point | N/A |
| Molecular Weight | 265.417 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Cyclohexanamine, 1,3,3,5,5-pentamethyl-, methanesulfonate;1,3,3,5,5-Pentamethylcyclohexanamine methanesulfonate; |
Article Data | 3 |
Neramexane Mesylate Synthetic route
- 78-59-1
3,5,5-Trimethylcyclohex-2-en-1-one
- 457068-92-7
Neramexane mesylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1.1: copper(l) iodide; lithium chloride / tetrahydrofuran / 1 h / 5 - 15 °C 2.1: tetrahydrofuran / 5 - 15 °C 3.1: sulfuric acid / acetic acid / 1 h / 5 - 10 °C 4.1: hydrogenchloride; thiourea / water / 6 h / Reflux 4.2: pH 7 5.1: ethyl acetate / 1 h / 0 - 5 °C View Scheme | |
| Multi-step reaction with 5 steps 1.1: copper(l) iodide; lithium chloride / tetrahydrofuran / 1 h / 5 - 15 °C 2.1: tetrahydrofuran / 1 h / 5 - 15 °C 3.1: sulfuric acid / acetic acid / 1 h / 5 - 10 °C 4.1: hydrogenchloride; thiourea / water / 6 h / Reflux 4.2: pH 7 5.1: ethyl acetate / 1 h / 0 - 5 °C View Scheme |
| Conditions | Yield |
|---|---|
| In ethyl acetate at 0 - 5℃; for 1h; | |
| In ethyl acetate at 0 - 5℃; for 1h; | |
| In butanone |
- 14376-79-5
3,3,5,5-tetramethylcyclohexanone
- 457068-92-7
Neramexane mesylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1.1: tetrahydrofuran / 5 - 15 °C 2.1: sulfuric acid / acetic acid / 1 h / 5 - 10 °C 3.1: hydrogenchloride; thiourea / water / 6 h / Reflux 3.2: pH 7 4.1: ethyl acetate / 1 h / 0 - 5 °C View Scheme | |
| Multi-step reaction with 4 steps 1.1: tetrahydrofuran / 1 h / 5 - 15 °C 2.1: sulfuric acid / acetic acid / 1 h / 5 - 10 °C 3.1: hydrogenchloride; thiourea / water / 6 h / Reflux 3.2: pH 7 4.1: ethyl acetate / 1 h / 0 - 5 °C View Scheme |
- 38490-33-4
1,3,3,5,5-pentamethylcyclohexanol
- 457068-92-7
Neramexane mesylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: sulfuric acid / acetic acid / 1 h / 5 - 10 °C 2.1: hydrogenchloride; thiourea / water / 6 h / Reflux 2.2: pH 7 3.1: ethyl acetate / 1 h / 0 - 5 °C View Scheme |
- 316364-93-9
N-Chloroacetyl-1,3,3,5,5-pentamethylcyclohexanamine
- 457068-92-7
Neramexane mesylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1.1: hydrogenchloride; thiourea / water / 6 h / Reflux 1.2: pH 7 2.1: ethyl acetate / 1 h / 0 - 5 °C View Scheme |
- 457068-92-7
Neramexane mesylate
- 219810-59-0
neramexane
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 20℃; | 100% |
- 457068-92-7
Neramexane mesylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium hydroxide / water / 20 °C 2: dichloromethane / 2 h / 20 °C View Scheme |
- 457068-92-7
Neramexane mesylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium hydroxide / water / 20 °C 2: neat (no solvent) / 20 °C / Cooling View Scheme |
- 457068-92-7
Neramexane mesylate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium hydroxide / water / 20 °C 2: neat (no solvent) / 20 °C / Cooling View Scheme |
Neramexane Mesylate Specification
The Neramexane Mesylate, with the CAS registry number 457068-92-7, is also known as 1,3,3,5,5-Pentamethylcyclohexanamine methanesulfonate. This chemical's molecular formula is C12H27NO3S and molecular weight is 265.41268. Its IUPAC name is called methanesulfonic acid; 1,3,3,5,5-pentamethylcyclohexan-1-amine. What's more, this chemical's classification code is Treatment of Depression, Alzheimer's Disease, and Pain.
Physical properties of Neramexane Mesylate: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 4; (3)Rotatable Bond Count: 0; (4)Exact Mass: 265.171164; (5)MonoIsotopic Mass: 265.171164; (6)Topological Polar Surface Area: 88.8; (7)Heavy Atom Count: 17; (8)Formal Charge: 0; (9)Complexity: 256; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(CC(CC(C1)(C)N)(C)C)C.CS(=O)(=O)O
(2)InChI: InChI=1S/C11H23N.CH4O3S/c1-9(2)6-10(3,4)8-11(5,12)7-9;1-5(2,3)4/h6-8,12H2,1-5H3;1H3,(H,2,3,4)
(3)InChIKey: CLUKHUGGXSIGRX-UHFFFAOYSA-N
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