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Molecule
Meptazinol Hydrochloride
CAS: 59263-76-2 · C15H24ClNO
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 59263-76-2
- Molecular Formula
- C15H24ClNO
- Molecular Mass
- 269.82 g/mol
Identifiers
CAS Registry Number
59263-76-2
SMILES
CCC1(c2cccc(O)c2)CCCCN(C)C1.Cl
InChI Key
MPJUSISYVXABBH-UHFFFAOYSA-N
InChI
InChI=1S/C15H23NO.ClH/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;1H
Names and Synonyms
- Meptazinol Hydrochloride Synonym
- Phenol, 3-(3-ethylhexahydro-1-methyl-1H-azepin-3-yl)-, hydrochloride (1:1) Synonym
- Phenol, 3-(3-ethylhexahydro-1-methyl-1H-azepin-3-yl)-, hydrochloride Synonym
- Meptazinol hydrochloride Synonym
- Meptamizol hydrochloride Synonym
- Wy 22811 Synonym
- IL 22811 HCl Synonym
- Wy 22811 HCl Synonym
- Meptid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 269.82 g/mol | CAS Common Chemistry |
| 269.81599999999986 g/mol | RDKit | |
| 269.816 g/mol | RDKit | |
| 269.813 g/mol | chempirical lib | |
| Canonical SMILES | Cl.OC1=CC=CC(=C1)C2(CN(C)CCCC2)CC | CAS Common Chemistry |
| InChI | InChI=1S/C15H23NO.ClH/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;1H | CAS Common Chemistry |
| InChI Key | InChIKey=MPJUSISYVXABBH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Meptazinol hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 23.47 Ų | RDKit |
| 23.24 Ų | chempirical lib | |
| LogP | 3.577500000000003 | RDKit |
| 3.5775 | RDKit | |
| Molar Refractivity | 78.67180000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 269.154642068 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 269.82 g/mol. Edit any field — others recompute live.
