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

Isocarboxazid

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
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

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

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Diltiazem. DILTIAZEM, M(ODESMETHYL-), AC. Tetrabenazine M (bis-desmethyl-HO-), diacetylated. Tetrabenazine M (bis-desmethyl-), monoacetylated. 3-Amino-1-propanol, ferrocenylboronate. Quinidine. Quinine. 4H,6h-m-dioxino[4',5':5,6]pyrano[4,3-d]-4-oxazolin-2-one, hexahydro-4-methoxy-1,8-diphenyl-. Methoxyoestrone (enol)-TMS. DILTIAZEM, M(O-DESMETHYL-DESAMINO-HO-), AC. 2-Dimethylamino-8(ar)-methoxy-tetrahydro-1-acenaphthone. Sterigmatocystin, O-tert.-butyldimethylsilyl-. DILTIAZEM, M(DESAMINO-HO-), AC. Sterigmatocystin, trimethylsilyl ether. Thymidine, 3',5'-bis(O-TMTBSi).

Find more compounds similar to Isocarboxazid.

Sources

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.
These property values are available through the Cheméo API. A free account gives you an access key.