Pindolol

CAS: 13523-86-9 · C14H20N2O2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 13523-86-9
Molecular Formula: C14H20N2O2
Molecular Mass: 248.33 g/mol

Identifiers

CAS Registry Number

13523-86-9

SMILES

CC(C)NCC(O)COc1cccc2[nH]ccc12

InChI Key

JZQKKSLKJUAGIC-UHFFFAOYSA-N

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

Names and Synonyms

Pindolol Synonym
2-Propanol, 1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]- Synonym
2-Propanol, 1-(indol-4-yloxy)-3-(isopropylamino)- Synonym
1-(1H-Indol-4-yloxy)-3-[(1-methylethyl)amino]-2-propanol Synonym
4-(2-Hydroxy-3-isopropylaminopropoxy)indole Synonym
Pindolol Synonym
1-[(1-Methylethyl)amino]-3-(4-indolyloxy)-2-propanol Synonym
Prinodolol Synonym
4-(3-Isopropylamino-2-hydroxypropoxy)indole Synonym
Carvisken Synonym
LB 46 Synonym
DL-4-[2-Hydroxy-3-(isopropylamino)propoxy]indole Synonym
DL-LB 46 Synonym
Visken Synonym
(±)-4-[2-Hydroxy-3-(isopropylamino)propoxy]indole Synonym
(±)-Pindolol Synonym
DL-Pindolol Synonym
(±)-LB 46 Synonym
dl-Pindolol Synonym
(RS)-Pindolol Synonym
Glauco-Visken Synonym
Pectobloc Synonym
Decreten Synonym
Pynastin Synonym
Blocklin L Synonym
Calvisken Synonym
Betapindol Synonym
Durapindol Synonym
Pinbetol Synonym
N-[2-Hydroxy-3-(1H-indol-4-yloxy)propyl]-N-isopropylamine Synonym
LB 46 (pharmaceutical) Synonym
Apo-pindol Synonym
[2-Hydroxy-3-(1H-indol-4-yloxy)propyl](propan-2-yl)amine Synonym
1-(1H-Indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol Synonym

All Properties

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	248.33 g/mol	CAS Common Chemistry
	248.32600000000002 g/mol	RDKit
	248.326 g/mol	RDKit
	249.334 g/mol	chempirical lib
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 Å²	RDKit
	57.28 Å²	RDKit
	53.49 Å²	chempirical lib
LogP	1.9055999999999995	RDKit
	1.9056	RDKit
Molar Refractivity	72.93920000000004 cm³/mol	RDKit
Ring Count	2	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.4286	RDKit
Exact Mass	248.15247788 g/mol	RDKit

Spectral Data

NMR, IR, and Mass spectral data

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.

External Resources

Convert

Quick conversion

MW = 248.33 g/mol. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol)

Related molecules

Other compounds with formula C14H20N2O2.

2(1H)-Isoquinolinecarboxylic acid, 7-amino-3,4-dihydro-, 1,1-dimethylethyl ester CAS 171049-41-5 Phenylmethyl 3-(Aminomethyl)-1-Piperidinecarboxylate CAS 315717-76-1