Back to Search
Ethambutol Hydrochloride
CAS: 1070-11-7 | C10H26Cl2N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1070-11-7
Molecular Formula:
C10H26Cl2N2O2
Molecular Mass:
277.24 g/mol
Names and Synonyms:
Ethambutol Hydrochloride
1-Butanol, 2,2′-(1,2-ethanediyldiimino)bis-, hydrochloride (1:2), (2S,2′S)-
1-Butanol, 2,2′-(ethylenediimino)di-, dihydrochloride, (+)-
1-Butanol, 2,2′-(1,2-ethanediyldiimino)bis-, dihydrochloride, [S-(R*,R*)]-
1-Butanol, 2,2′-(1,2-ethanediyldiimino)bis-, dihydrochloride, (2S,2′S)-
CL 40881
Ethambutol dihydrochloride
Ethambutol hydrochloride
d-2,2′-(Ethylenediimino)-di-1-butanol dihydrochloride
Myambutol
(+)-2,2′-(Ethylenediimino)di-1-butanol dihydrochloride
Dadibutol
Sural
Mycobutol
Dexambutol
Ebutol
Tibutol
Ethambutold dihydrochloride
Etapiam
Etibi
Tambutol
Identifiers:
SMILES:
CC[C@@H](CO)NCCN[C@@H](CC)CO.Cl.Cl
InChI:
InChI=1S/C10H24N2O2.2ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;;/h9-14H,3-8H2,1-2H3;2*1H/t9-,10-;;/m0../s1
Key Properties
Melting Point
198.5-200.3 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 277.24 g/mol | CAS Common Chemistry |
| 277.236 g/mol | RDKit | |
| 276.137133432 g/mol | RDKit | |
| Canonical SMILES | Cl.OCC(NCCNC(CO)CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C10H24N2O2.2ClH/c1-3-9(7-13)11-5-6-12-10(4-2)8-14;;/h9-14H,3-8H2,1-2H3;2*1H/t9-,10-;;/m0../s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AUAHHJJRFHRVPV-BZDVOYDHSA-N | CAS Common Chemistry |
| Melting Point | 198.5-200.3 °C | CAS Common Chemistry |
| Name | Ethambutol hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 9 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 64.52 Ų | RDKit |
| LogP | 0.5509999999999997 | RDKit |
| Molar Refractivity | 72.83100000000003 | RDKit |
