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Propham

C10H13NO2CAS 122-42-9179.22 g/mol

Open in Covalent MOL file
OOHN

Properties

Molecular formula
C10H13NO2
Molar mass
179.22 g/mol
Exact mass
179.0946 Da
Density
1.09 g/mL (at 20 °C)
Melting point
90 °C
logP
2.66Crippen estimate
Polar surface area
41.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
122-42-9
SMILES
CC(C)OC(O)=Nc1ccccc1
InChIKey
VXPLXMJHHKHSOA-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)

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Names and synonyms

22 names · show all
  • Carbamic acid, N-phenyl-, 1-methylethyl ester
  • Carbanilic acid, isopropyl ester
  • Carbamic acid, phenyl-, 1-methylethyl ester
  • Y 2
  • Chem-hoe
  • IFK
  • INPC
  • IPC
  • Isopropyl carbanilate
  • Isopropyl phenylcarbamate
  • O-Isopropyl N-phenylcarbamate
  • Tuberit
  • Profam
  • Agermin
  • IPPC
  • Birgin
  • Collavin
  • Tixit
  • Isopropyl phenylurethane
  • Tuberite
  • N-Phenyl-O-isopropylurethane
  • NSC 2105

Work with Propham

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

Similar compounds

Chlorpropham101-21-368 % similar Carbetamide16118-49-355 % similar Ethyl N-phenylcarbamate101-99-555 % similar Diethofencarb87130-20-951 % similar Acetanilide103-84-444 % similar Bifenazate149877-41-844 % similar (-)-4-Phenyl-2-oxazolidinone90319-52-143 % similar (S)-(+)-4-Phenyl-2-oxazolidinone99395-88-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl N,N-dimethylanthranilate10072-05-6 Dl-homophenylalanine1012-05-1 Phenibut1078-21-3 Dl-α-methylphenylalanine1132-26-9 3-Methylphenylalanine114926-37-3 3-Methyl-D-phenylalanine114926-39-5 4-((2-Hydroxyethyl)(methyl)amino)benzaldehyde1201-91-8 β-Aminobenzenebutanoic acid15099-85-1

Elsewhere

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