chempirical

Diethofencarb

C14H21NO4CAS 87130-20-9267.32 g/mol

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ONHOOO
Ether

Properties

Molecular formula
C14H21NO4
Molar mass
267.32 g/mol
Exact mass
267.1471 Da
Melting point
100.3 °C
logP
3.45Crippen estimate
Polar surface area
60.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number
87130-20-9
SMILES
CCOc1ccc(N=C(O)OC(C)C)cc1OCC
InChIKey
LNJNFVJKDJYTEU-UHFFFAOYSA-N
InChI
InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Carbamic acid, N-(3,4-diethoxyphenyl)-, 1-methylethyl ester
  • Carbamic acid, (3,4-diethoxyphenyl)-, 1-methylethyl ester
  • Isopropyl N-(3,4-diethoxyphenyl)carbamate
  • Isopropyl 3,4-diethoxycarbanilate
  • S 32165
  • Powmil
  • Powmyl

Work with Diethofencarb

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

Chlorpropham101-21-352 % similar Propham122-42-951 % similar N-1,3-Benzodioxol-5-ylacetamide13067-19-144 % similar 3,4-Diethoxybenzohydrazide380482-31-544 % similar 3,4-Diethoxybenzoic acid5409-31-443 % similar 3,4-Diethoxybenzeneacetic acid38464-04-942 % similar Ethopabate59-06-340 % similar 3,4-Diethoxyaniline39052-12-540 % similar

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

Same formula

Ethyl 5-(ethoxycarbonyl)-2,4-dimethyl-1H-pyrrole-3-propanoate54278-10-3 3,5-Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate632-93-9 2-(1,1-Dimethylethyl) 4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate86770-31-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook