Chemical Properties of 9H-Pyrido[3,4-b]indole, 1-methyl-

InChI

InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3

InChI Key

PSFDQSOCUJVVGF-UHFFFAOYSA-N

Formula

C12H10N2

SMILES

Cc1nccc2c1[nH]c1ccccc12

Molecular Weight¹

182.23

Other Names

• 1-Methyl-2-carboline
• 1-Methyl-9H-pyrid(3,4-b)indole
• 1-Methyl-9H-pyrido[3,4-b]indole
• 1-Methyl-«beta»-carboline
• 1-Methylnorharman
• Aribin
• Aribine
• Harman
• Harmane
• Locuturin
• Locuturine
• Loturine
• NSC 54439
• Passiflorin
• Pyridobindole, L-methyl-

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	217.30	kJ/mol	Relay (1.0) Calculated Property
IE	7.83 ± 0.06	eV	NIST
log10WS	-3.79		Aq. Solubility Prediction
logPoct/wat	2.543		Crippen Calculated Property
McVol	141.520	ml/mol	McGowan Calculated Property
Pc	4234.02	kPa	Relay (1.0-beta) Calculated Property
Inp	[1920.00; 2000.00]
Inp	2000.00		NIST
Inp	1980.00		NIST
Inp	1920.00		NIST
Inp	1975.00		NIST
Inp	2000.00		NIST
Inp	1952.00		NIST
Inp	1975.00		NIST
Inp	1952.00		NIST
Tboil	645.49	K	Relay (1.0) Calculated Property
Tc	938.41	K	Relay (1.0) Calculated Property
Tfus	509.65	K	Aq. Solubility Prediction
Vc	0.537	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 9H-Pyrido[3,4-b]indole, 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
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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