Chemical Properties of 1H-Imidazole-4-methanol, 5-methyl- (CAS 29636-87-1)

InChI

InChI=1S/C5H8N2O/c1-4-5(2-8)7-3-6-4/h3,8H,2H2,1H3,(H,6,7)

InChI Key

AXJZCJSXNZZMDU-UHFFFAOYSA-N

Formula

C5H8N2O

SMILES

Cc1nc[nH]c1CO

Molecular Weight¹

112.13

CAS

29636-87-1

Other Names

• Imidazole-4-methanol, 5-methyl-
• 4-Methylimidazole-5-methanol
• Imidazole, 4-methyl-5-hydroxymethyl-
• 5-methyl-1H-imidazole-4-methanol

• 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	-0.271		Crippen Calculated Property
McVol	87.680	ml/mol	McGowan Calculated Property
Inp	[955.00; 955.00]
Inp	955.00		NIST
Inp	955.00		NIST

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Similar Compounds

Find more compounds similar to 1H-Imidazole-4-methanol, 5-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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