chempirical

Promecarb

C12H17NO2CAS 2631-37-0207.27 g/mol

Open in Covalent MOL file
NHOO

Properties

Molecular formula
C12H17NO2
Molar mass
207.27 g/mol
Exact mass
207.1259 Da
Melting point
87–87.5 °C
Boiling point
117 °C (at 0.1 Torr)
logP
3.04Crippen estimate
Polar surface area
41.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
2631-37-0
SMILES
CN=C(O)Oc1cc(C)cc(C(C)C)c1
InChIKey
DTAPQAJKAFRNJB-UHFFFAOYSA-N
InChI
InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)

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Names and synonyms

17 names · show all
  • Phenol, 3-methyl-5-(1-methylethyl)-, 1-(N-methylcarbamate)
  • Carbamic acid, methyl-, m-cym-5-yl ester
  • Phenol, 3-methyl-5-(1-methylethyl)-, methylcarbamate
  • EP 316
  • Schering 34615
  • m-Cym-5-yl methylcarbamate
  • Minacide
  • Morton EP-316
  • ITC
  • Sch 34615
  • 3-Methyl-5-isopropylphenyl methylcarbamate
  • Carbamult
  • 3-Methyl-5-isopropylphenyl N-methylcarbamate
  • 3-Isopropyl-5-methylphenyl N-methylcarbamate
  • 3-Isopropyl-5-methylphenyl methylcarbamate
  • NSC 35378
  • 3-Methyl-5-i-propylphenyl N-methylcarbamate

Work with Promecarb

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

Metolcarb1129-41-556 % similar Methiocarb2032-65-747 % similar Xylylcarb2425-10-747 % similar Isoprocarb2631-40-544 % similar 3-Isopropyl-5-methylphenol3228-03-343 % similar Metaxalone1665-48-142 % similar Propoxur114-26-138 % similar Carbaryl63-25-233 % similar

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

Same formula

Ethyl 2-[4-(dimethylamino)phenyl]acetate17078-29-4 N-Ethyl-N-phenyl-β-alanine methyl ester21608-06-0 4-[Ethyl(2-hydroxyethyl)amino]-2-methylbenzaldehyde21850-52-2 N-(Phenylmethyl)-β-alanine ethyl ester23583-21-3 Hexyl nicotinate23597-82-2 Ciclopirox29342-05-0 Fenobucarb3766-81-2 4-(Phenylmethyl)-2-morpholinemethanol40987-24-4

Elsewhere

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