Procarbazine

C12H19N3OCAS 671-16-9221.30 g/mol

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HNNHOHN
AmideSecondary amine

Properties

Molecular formula
C12H19N3O
Molar mass
221.30 g/mol
Exact mass
221.1528 Da
Melting point
223 °C
pKa
6.6
Water solubility
1.4 g/L
logP
1.05Crippen estimate
Polar surface area
53.2 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
671-16-9
SMILES
CNNCc1ccc(C(=O)NC(C)C)cc1
InChIKey
CPTBDICYNRMXFX-UHFFFAOYSA-N
InChI
InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)

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Names and synonyms

11 names
  • Benzamide, N-(1-methylethyl)-4-[(2-methylhydrazinyl)methyl]-
  • p-Toluamide, N-isopropyl-α-(2-methylhydrazino)-
  • Benzamide, N-(1-methylethyl)-4-[(2-methylhydrazino)methyl]-
  • N-(1-Methylethyl)-4-[(2-methylhydrazinyl)methyl]benzamide
  • N-Isopropyl-α-(2-methylhydrazino)-p-toluamide
  • 4-[(2-Methylhydrazino)methyl]-N-isopropylbenzamide
  • 1-Methyl-2-[p-(isopropylcarbamoyl)benzyl]hydrazine
  • MIH
  • p-(2-Methylhydrazinomethyl)-N-isopropylbenzamide
  • CB 400-497
  • Ibenzmethyzine

Work with Procarbazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Procarbazine hydrochloride366-70-1Salt

Similar compounds

4-Formyl-N-(1-methylethyl)benzamide13255-50-051 % similar 4-Fluoro-N-methylbenzamide701-49-536 % similar Diethyl (4-chlorobenzamido)propanedioate81918-01-635 % similar Benzoyl-dl-valine2901-80-633 % similar 4-Amino-N-methylbenzamide6274-22-233 % similar Isopropylbenzylamine102-97-632 % similar 4′-Isobutylacetophenone38861-78-831 % similar 4-Ibp155798-08-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-[Butyl(methyl)amino]-N'-hydroxybenzenecarboximidamide1021244-79-0

Elsewhere

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