Chemical Properties of 9H-Pyrido[3,4-b]indole, 1-methyl- (CAS 486-84-0)

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

182.22

CAS

486-84-0

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-Methyl-«beta»-carboline
• 1-Methylnorharman
• Aribin
• Aribine
• Harman
• Harmane
• Locuturin
• Locuturine
• Loturine
• NSC 54439
• Passiflorin
• Pyridobindole, L-methyl-

• 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).
• I_np : Non-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	7.83 ± 0.06	eV	NIST
log10WS	-3.79		Aq. Sol...
logPoct/wat	2.543		Crippen Calculated Property
McVol	141.520	ml/mol	McGowan 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	1952.00		NIST
Inp	1975.00		NIST
Tfus	509.65	K	Aq. Sol...

Temperature Dependent Properties

Similar Compounds

Find more compounds similar to 9H-Pyrido[3,4-b]indole, 1-methyl-.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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