Meptazinol supplier | CasNO.54340-58-8

Name
Meptazinol
EINECS 259-109-9
CAS No. 54340-58-8
Article Data9
CAS DataBase
Density 0.997g/cm³
Solubility
Melting Point 127-133 ºC
Formula C₁₅H₂₃NO
Boiling Point 354.8 °C at 760 mmHg
Molecular Weight 233.354
Flash Point 160.6 °C
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Molecular Structure
Hazard Symbols
Synonyms (?à)-Meptazinol;Meptamizol;Meptazinol;3-(1-Methyl-3-ethylhexahydro-1H-azepine-3-yl)phenol;
PSA 23.47000
LogP 3.09360

Meptazinol Specification

The Meptazinol with cas registry number of 54340-58-8, its related registry number is 59263-76-2 (hydrochloride). Its IUPAC name is 3-(3-ethyl-1-methylazepan-3-yl)phenol. And it is also called 3-(3-Ethylhexahydro-1-methyl-1H-azepin-3-yl)phenol.

Physical properties about this chemical are: (1)XLogP3-AA: 3.4; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 2; (5)Tautomer Count: 3; (6)Exact Mass: 233.177964; (7)MonoIsotopic Mass: 233.177964; (8)Topological Polar Surface Area: 23.5; (9)Heavy Atom Count: 17; (10)Formal Charge: 0; (11)Complexity: 243; (12)Isotope Atom Count: 0; (13)Defined Atom StereoCenter Count: 0; (14)Undefined Atom StereoCenter Count: 1; (15)Defined Bond StereoCenter Count: 0; (16)Undefined Bond StereoCenter Count: 0.

Preparation: this chemical can be prepared by 3-ethylhexahydro-3-(3-hydroxyphenyl)-1-methyl-2H-azepin-2-one. This reaction will need reagent lithium aluminium hydride and solvent tetrahydrofuran. The yield is about 90%.

Uses of Meptazinol: it can be used to produce benzoic acid 3-(3-ethyl-1-methyl-azepan-3-yl)-phenyl ester. The yield is about 58%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3;
(2)Smiles: c1([C@@]2(C[N@@](CCCC2)C)CC)cc(ccc1)O.

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Meptazinol

Meptazinol Specification

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