Chemical Properties of 1-propyl-1H-indole (CAS 16885-94-2)

InChI

InChI=1S/C11H13N/c1-2-8-12-9-7-10-5-3-4-6-11(10)12/h3-7,9H,2,8H2,1H3

InChI Key

LAAHPFCQVWTSIK-UHFFFAOYSA-N

Formula

C11H13N

SMILES

CCCn1ccc2ccccc21

Molecular Weight¹

159.23

CAS

16885-94-2

• 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.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-3.96		Crippen Calculated Property
logPoct/wat	3.051		Crippen Calculated Property
McVol	136.910	ml/mol	McGowan Calculated Property
Inp	[1431.00; 1445.00]
Inp	1431.00		NIST
Inp	1445.00		NIST
I	[2086.00; 2096.00]
I	2086.00		NIST
I	2096.00		NIST
I	2086.00		NIST

Similar Compounds

Find more compounds similar to 1-propyl-1H-indole.

Sources

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

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