chempirical

Xylylcarb

C10H13NO2CAS 2425-10-7179.22 g/mol

Open in Covalent MOL file
NHOO

Properties

Molecular formula
C10H13NO2
Molar mass
179.22 g/mol
Exact mass
179.0946 Da
Melting point
79.5 °C
Boiling point
126 °C
logP
2.23Crippen estimate
Polar surface area
41.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
2425-10-7
SMILES
CN=C(O)Oc1ccc(C)c(C)c1
InChIKey
WCJYTPVNMWIZCG-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO2/c1-7-4-5-9(6-8(7)2)13-10(12)11-3/h4-6H,1-3H3,(H,11,12)

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Names and synonyms

12 names
  • Phenol, 3,4-dimethyl-, 1-(N-methylcarbamate)
  • Carbamic acid, methyl-, 3,4-xylyl ester
  • Phenol, 3,4-dimethyl-, methylcarbamate
  • 3,4-Xylenol, methylcarbamate
  • V 17004
  • Meobal
  • 3,4-Dimethylphenyl N-methylcarbamate
  • 3,4-Xylyl N-methylcarbamate
  • 3,4-Dimethylphenyl methylcarbamate
  • MPMC
  • 3,4-Xylyl methylcarbamate
  • S 1042

Work with Xylylcarb

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

Methiocarb2032-65-761 % similar Metolcarb1129-41-559 % similar Promecarb2631-37-047 % similar 3,4-Dimethylanisole4685-47-644 % similar 2-(3,4-Dimethylphenoxy)acetic acid13335-73-444 % similar Carbaryl63-25-240 % similar Propoxur114-26-140 % similar Isoprocarb2631-40-540 % 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 Propham122-42-9

Elsewhere

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