Chemical Properties of 2-Pyrazoline, 1-isobutyl-3-methyl- (CAS 26964-53-4)

InChI

InChI=1S/C8H16N2/c1-7(2)6-10-5-4-8(3)9-10/h7H,4-6H2,1-3H3

InChI Key

ZEWMFEJLDHQAFQ-UHFFFAOYSA-N

Formula

C8H16N2

SMILES

CC1=NN(CC(C)C)CC1

Molecular Weight¹

140.23

CAS

26964-53-4

Other Names

• 1-Isobutyl-3-methyl-4,5-dihydro-1H-pyrazole
• 2-Pyrazoline, 3-methyl-1-(2-methylpropyl)
• 3-Methyl-1-isobutyl-«DELTA»[2]-pyrazoline

• 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
logPoct/wat	1.724		Crippen Calculated Property
McVol	128.380	ml/mol	McGowan Calculated Property
Inp	[1087.00; 1087.00]
Inp	1087.00		NIST
Inp	1087.00		NIST

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Similar Compounds

Find more compounds similar to 2-Pyrazoline, 1-isobutyl-3-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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