Chemical Properties of Betazole (CAS 105-20-4)

InChI

InChI=1S/C5H9N3/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2,(H,7,8)

InChI Key

JXDFEQONERDKSS-UHFFFAOYSA-N

Formula

C5H9N3

SMILES

NCCc1cc[nH]n1

Molecular Weight¹

111.15

CAS

105-20-4

Other Names

• 1H-Pyrazole-3-ethanamine
• Pyrazole, 3-(2-aminoethyl)-
• Ametazole
• 3-(2-Aminoethyl)pyrazole
• 3-Aminoethylpyrazole

• 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_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-0.69		Crippen Calculated Property
logPoct/wat	-0.571		Crippen Calculated Property
McVol	91.790	ml/mol	McGowan Calculated Property
Inp	[1390.00; 1390.00]
Inp	1390.00		NIST
Inp	1390.00		NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Betazole.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.