Chemical Properties of 1H-Indole, 2,3-dihydro-1-methyl- (CAS 824-21-5)

InChI

InChI=1S/C9H11N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-5H,6-7H2,1H3

InChI Key

FIRXFHJQGIIJDB-UHFFFAOYSA-N

Formula

C9H11N

SMILES

CN1CCc2ccccc21

Molecular Weight¹

133.19

CAS

824-21-5

Other Names

• 1-Methyl-2,3-dihydro-1H-indole

• IE : Ionization energy (eV).
• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	7.30	eV	Relay (1.0) Calculated Property
log10WS	-1.64		Relay (1.0) Calculated Property
logPoct/wat	1.679		Crippen Calculated Property
McVol	113.030	ml/mol	McGowan Calculated Property
Inp	[1230.00; 1248.00]
Inp	1230.00		NIST
Inp	1248.00		NIST
I	[1756.00; 1776.00]
I	1756.00		NIST
I	1776.00		NIST
Tfus	247.48	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 1H-Indole, 2,3-dihydro-1-methyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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