chempirical

Isoprocarb

C11H15NO2CAS 2631-40-5193.25 g/mol

Open in Covalent MOL file
NHOO

Properties

Molecular formula
C11H15NO2
Molar mass
193.25 g/mol
Exact mass
193.1103 Da
Melting point
94 °C
Boiling point
128–129 °C
logP
2.73Crippen estimate
Polar surface area
41.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
2631-40-5
SMILES
CN=C(O)Oc1ccccc1C(C)C
InChIKey
QBSJMKIUCUGGNG-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)

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Names and synonyms

23 names · show all
  • Phenol, 2-(1-methylethyl)-, 1-(N-methylcarbamate)
  • Carbamic acid, methyl-, o-cumenyl ester
  • Phenol, 2-(1-methylethyl)-, methylcarbamate
  • PPC 3
  • OMS 32
  • Bayer 39,731
  • o-Isopropylphenol methylcarbamate
  • o-Isopropylphenyl N-methylcarbamate
  • 2-Isopropylphenyl N-methylcarbamate
  • BAY 39731
  • Ro 7-5050
  • o-Cumenyl N-methylcarbamate
  • Mipcin
  • 2-Isopropylphenyl methylcarbamate
  • o-Cumenyl methylcarbamate
  • o-Isopropylphenyl methylcarbamate
  • Mipcine
  • MIPC
  • ENT 25670
  • Etrofolan
  • NSC 191479
  • Mobucin
  • 2-(Propan-2-yl)phenyl N-methylcarbamate

Work with Isoprocarb

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Fenobucarb3766-81-268 % similar Propoxur114-26-163 % similar Carbaryl63-25-256 % similar Ethiofencarb29973-13-549 % similar Promecarb2631-37-044 % similar Carbofuran1563-66-244 % similar Metolcarb1129-41-542 % similar Xylylcarb2425-10-740 % similar

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

Same formula

Ethyl 4-(dimethylamino)benzoate10287-53-3 β-Amino-4-ethylbenzenepropanoic acid117391-52-3 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-9 4-(Diethylamino)-2-hydroxybenzaldehyde17754-90-4 N,N-Diethyl-2-hydroxybenzamide19311-91-2 1-Methylethyl 3-amino-4-methylbenzoate21447-47-2 2-Dimethylaminoethyl benzoate2208-05-1 MDMA42542-10-9

Elsewhere

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