Back to Search
Tulobuterol Hydrochloride
CAS: 56776-01-3 | C12H19Cl2NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
56776-01-3
Molecular Formula:
C12H19Cl2NO
Molecular Mass:
264.20 g/mol
Names and Synonyms:
Tulobuterol Hydrochloride
Benzenemethanol, 2-chloro-α-[[(1,1-dimethylethyl)amino]methyl]-, hydrochloride (1:1)
Benzenemethanol, 2-chloro-α-[[(1,1-dimethylethyl)amino]methyl]-, hydrochloride
C 78
Lobuterol
Tulobuterol hydrochloride
Berachin
Chlibamol
Ventaire
Atenos
Hokunalin
Respacal
Bremax
Brelomax
2-(tert-Butylamino)-1-(2-chlorophenyl)ethanol hydrochloride
Identifiers:
SMILES:
CC(C)(C)NCC(O)c1ccccc1Cl.Cl
InChI:
InChI=1S/C12H18ClNO.ClH/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;/h4-7,11,14-15H,8H2,1-3H3;1H
Key Properties
Melting Point
161-163 °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 | 264.20 g/mol | CAS Common Chemistry |
| 264.19599999999997 g/mol | RDKit | |
| 263.084369588 g/mol | RDKit | |
| Canonical SMILES | Cl.ClC=1C=CC=CC1C(O)CNC(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H18ClNO.ClH/c1-12(2,3)14-8-11(15)9-6-4-5-7-10(9)13;/h4-7,11,14-15H,8H2,1-3H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=RSLNRVYIRDVHLY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 161-163 °C | CAS Common Chemistry |
| Name | Tulobuterol hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 32.26 Ų | RDKit |
| LogP | 3.1833000000000022 | RDKit |
| Molar Refractivity | 71.41550000000002 | RDKit |
