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Pindolol
CAS: 13523-86-9 | C14H20N2O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
13523-86-9
Molecular Formula:
C14H20N2O2
Molecular Mass:
248.33 g/mol
Names and Synonyms:
Pindolol
2-Propanol, 1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]-
2-Propanol, 1-(indol-4-yloxy)-3-(isopropylamino)-
1-(1H-Indol-4-yloxy)-3-[(1-methylethyl)amino]-2-propanol
4-(2-Hydroxy-3-isopropylaminopropoxy)indole
Pindolol
1-[(1-Methylethyl)amino]-3-(4-indolyloxy)-2-propanol
Prinodolol
4-(3-Isopropylamino-2-hydroxypropoxy)indole
Carvisken
LB 46
DL-4-[2-Hydroxy-3-(isopropylamino)propoxy]indole
DL-LB 46
Visken
(±)-4-[2-Hydroxy-3-(isopropylamino)propoxy]indole
(±)-Pindolol
DL-Pindolol
(±)-LB 46
dl-Pindolol
(RS)-Pindolol
Glauco-Visken
Pectobloc
Decreten
Pynastin
Blocklin L
Calvisken
Betapindol
Durapindol
Pinbetol
N-[2-Hydroxy-3-(1H-indol-4-yloxy)propyl]-N-isopropylamine
LB 46 (pharmaceutical)
Apo-pindol
[2-Hydroxy-3-(1H-indol-4-yloxy)propyl](propan-2-yl)amine
1-(1H-Indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
Identifiers:
SMILES:
CC(C)NCC(O)COc1cccc2[nH]ccc12
InChI:
InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
Key Properties
Melting Point
171-173 °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 | 248.33 g/mol | CAS Common Chemistry |
| 248.32600000000002 g/mol | RDKit | |
| 248.15247788 g/mol | RDKit | |
| Canonical SMILES | OC(COC1=CC=CC=2NC=CC12)CNC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JZQKKSLKJUAGIC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 171-173 °C | CAS Common Chemistry |
| Name | Pindolol | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.279999999999994 Ų | RDKit |
| LogP | 1.9055999999999995 | RDKit |
| Molar Refractivity | 72.93920000000004 | RDKit |
