Chemical Properties of Clomipramine (CAS 303-49-1)

InChI

InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3

InChI Key

GDLIGKIOYRNHDA-UHFFFAOYSA-N

Formula

C19H23ClN2

SMILES

CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21

Molecular Weight¹

314.85

CAS

303-49-1

Other Names

5H-Dibenz[b,f]azepine-5-propanamine, 3-chloro-10,11-dihydro-N,N-dimethyl-
5H-Dibenz[b,f]azepine, 3-chloro-5-[3-(dimethylamino)propyl]-10,11-dihydro-
Chlorimipramine
G 34586
Anafranil (free base)
Anafranil base
Hydiphen
Monochlorimipramine
3-Chloro-5-(3-(dimethylamino)propyl)-10,11-dihydro-5H-dibenz(b,f)azepine
3-Chloroimipramine
5H-Dibenz(b,f)azepine, 10,11-dihydro-3-chloro-5-(3-(dimethylamino)propyl)-
NSC 169865

log₁₀WS : Log10 of Water solubility in mol/l.
logP_oct/wat : Octanol/Water partition coefficient.
McVol : McGowan's characteristic volume (ml/mol).
I_np : Non-polar retention indices.
¹: Molecular weight from the IUPAC atomic weights tables.

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Please note that you need to enable javascript to get access to all the properties. Here is how to do it for Internet Explorer and for Firefox.

Physical Properties

Property	Value	Unit	Source
log₁₀WS	-4.77		Crippen Calculated Property
logP_oct/wat	4.528		Crippen Calculated Property
McVol	252.390	ml/mol	McGowan Calculated Property
I_np	[2406.00; 2484.40]
I_np	2457.00		NIST
I_np	2484.40		NIST
I_np	2406.00		NIST
I_np	2454.00		NIST

Similar Compounds

Find more compounds similar to Clomipramine.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.