Chemical Properties of Ethoheptazine (CAS 77-15-6)

InChI

InChI=1S/C16H23NO2/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16/h4-6,8-9H,3,7,10-13H2,1-2H3

InChI Key

WGJHHMKQBWSQIY-UHFFFAOYSA-N

Formula

C16H23NO2

SMILES

CCOC(=O)C1(c2ccccc2)CCCN(C)CC1

Molecular Weight¹

261.36

CAS

77-15-6

Other Names

• 1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester
• Aethoheptazin
• Ethyl heptazine
• Wy 401
• Zactane
• Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester
• 4-Carbethoxy-1-methyl-4-phenylazacycloheptane
• 4-Carbethoxy-1-methyl-4-phenylhexamethylenimine
• Ethyl hexahydro-1-methyl-4-phenyl-azepine-4-carboxylate
• Hexahydro-1-methyl-4-phenyl-4-azepinecarboxylic acid ethyl ester
• 1-Methyl-4-carbethoxy-4-phenylhexamethyleneimine
• 1-Methyl-4-carbethoxy-4-phenylhexamethylenimine
• Ethyl hexahydro-1-methyl-4-phenyl-1H-azepine-4-carboxylate

• 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	-2.62		Crippen Calculated Property
logPoct/wat	2.603		Crippen Calculated Property
McVol	219.100	ml/mol	McGowan Calculated Property
Inp	[1823.00; 1857.00]
Inp	1840.00		NIST
Inp	1848.00		NIST
Inp	1844.00		NIST
Inp	1836.00		NIST
Inp	1845.00		NIST
Inp	1823.00		NIST
Inp	1857.00		NIST
Inp	1823.00		NIST
I	2453.00		NIST

Similar Compounds

Find more compounds similar to Ethoheptazine.

Sources

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

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