Chemical Properties of Gramine (CAS 87-52-5)

InChI

InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3

InChI Key

OCDGBSUVYYVKQZ-UHFFFAOYSA-N

Formula

C11H14N2

SMILES

CN(C)Cc1c[nH]c2ccccc12

Molecular Weight¹

174.24

CAS

87-52-5

Other Names

• 1H-Indole-3-methanamine, N,N-dimethyl-
• Indole, 3-[(dimethylamino)methyl]-
• Donaxin
• Donaxine
• Gramin
• 3-[(Dimethylamino)methyl]indole
• «beta»-Dimethylaminomethylindole
• beta-(Dimethylaminomethyl)indole
• 3-(N,N-Dimethylaminomethyl)indole
• N,N-Dimethyl-1H-indole-3-methylamine
• (1H-Indol-3-ylmethyl)-dimethyl-amine
• NSC 16892
• b-(Dimethylaminomethyl)indole
• 3-Dimethylaminomethylindol (gramin)
• 1H-Indol-3-yl-N,N-dimethylmethanamine
• indol-3-ylmethyldimethylamine

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	7.69 ± 0.16	eV	NIST
log10WS	-2.78		Crippen Calculated Property
logPoct/wat	1.748		Crippen Calculated Property
McVol	146.890	ml/mol	McGowan Calculated Property
Inp	[1620.00; 1622.00]
Inp	1620.00		NIST
Inp	1620.00		NIST
Inp	1622.00		NIST
Inp	1620.00		NIST

Similar Compounds

Find more compounds similar to Gramine.

Sources

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

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