Chemical Properties of Isocarboxazid (CAS 59-63-2)

InChI

InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)

InChI Key

XKFPYPQQHFEXRZ-UHFFFAOYSA-N

Formula

C12H13N3O2

SMILES

Cc1cc(C(=O)NNCc2ccccc2)no1

Molecular Weight¹

231.25

CAS

59-63-2

Other Names

• 1-Benzyl-2-(5-methyl-3-isoxazolylcarbonyl)hydrazine
• 3-Isoxazolecarboxylic acid, 5-methyl-, 2-(phenylmethyl)hydrazide
• 3-Isoxazolecarboxylic acid, 5-methyl-, 2-benzylhydrazide
• 5-Methyl-3-isoxazolecarboxylic acid 2-benzylhydrazide
• BMIH
• Benazide
• Enerzer
• Isocarbonazid
• Isocarbossazide
• Isocarboxazide
• Isocarboxyzid
• Maraplan
• Marplan
• Marplon
• N'-Benzyl N-methyl-5-isoxazolecarboxylhydrazide-3
• NSC 169893
• Ro 5-0831
• Ro 5-0831/1

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	[-2.46; -2.46]
log10WS	-2.46		Aq. Sol...
log10WS	-2.46		Estimat...
logPoct/wat	1.418		Crippen Calculated Property
McVol	174.100	ml/mol	McGowan Calculated Property
Inp	[1926.00; 1975.00]
Inp	1926.00		NIST
Inp	1960.00		NIST
Inp	1975.00		NIST
Inp	1949.00		NIST
Inp	1960.00		NIST
Inp	1926.00		NIST
Tfus	378.65	K	Aq. Sol...

Similar Compounds

Find more compounds similar to Isocarboxazid.

Sources

• Crippen Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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