Chemical Properties of Thenyldiamine (CAS 91-79-2)

InChI

InChI=1S/C14H19N3S/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14/h3-7,10,12H,8-9,11H2,1-2H3

InChI Key

RCGYDFVCAAKKNG-UHFFFAOYSA-N

Formula

C14H19N3S

SMILES

CN(C)CCN(Cc1ccsc1)c1ccccn1

Molecular Weight¹

261.39

CAS

91-79-2

Other Names

• 1,2-Ethanediamine, N,N-dimethyl-N'-2-pyridinyl-N'-(3-thienylmethyl)-
• Pyridine, 2-[[2-(dimethylamino)ethyl]-3-thenylamino]-
• Dethlandiamine
• Dethylandiamine
• Tenfidil
• Thefanil
• Thenfadil
• Thenyldiamine (pharmaceutical)
• WIN 2848
• 2-[(2-Dimethylaminoethyl)-3-thenylamino]pyridine
• N-(2-Dimethylaminoethyl)-N-2-pyridyl-3-thenylamine
• N-(«alpha»-Pyridyl)-N-(«beta»-thenyl)-N',N'-dimethylethylenediamine
• NCI-C60640

• 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.

Physical Properties

Property	Value	Unit	Source
log10WS	-2.84		Crippen Calculated Property
logPoct/wat	2.711		Crippen Calculated Property
McVol	211.190	ml/mol	McGowan Calculated Property
Inp	[1963.00; 2008.00]
Inp	2008.00		NIST
Inp	1992.00		NIST
Inp	1963.00		NIST
Inp	2005.00		NIST
Inp	1999.00		NIST
Inp	1963.00		NIST

Similar Compounds

Find more compounds similar to Thenyldiamine.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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