N,N-Diethyl-p-phenylenediamine oxalate

C₁₂H₁₈N₂O₄CAS 62637-92-7254.29 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₈N₂O₄
Molar mass: 254.29 g/mol
Exact mass: 254.1267 Da
logP: 1.27Crippen estimate
Polar surface area: 103.9 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 3

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 39 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

62637-92-7

SMILES

CCN(CC)c1ccc(N)cc1.O=C(O)C(=O)O

InChIKey

GXSUUFAGHVDMCO-UHFFFAOYSA-N

InChI

InChI=1S/C10H16N2.C2H2O4/c1-3-12(4-2)10-7-5-9(11)6-8-10;3-1(4)2(5)6/h5-8H,3-4,11H2,1-2H3;(H,3,4)(H,5,6)

Weigh it out

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

Names and synonyms

2 names

1,4-Benzenediamine, N1,N1-diethyl-, ethanedioate (2:1)
1,4-Benzenediamine, N,N-diethyl-, ethanedioate (2:1)

Work with N,N-Diethyl-p-phenylenediamine oxalate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Ethanedioic acid hydrate (1:2)6153-56-6Hydrate Oxalic acid144-62-7Free acid Color developing agent 193-05-0Free base Ferric ammonium oxalate14221-47-7Salt Copper oxalate814-91-5Salt Iron(II) oxalate516-03-0Salt Silver oxalate533-51-7Salt Potassium hydrogenoxalate127-95-7Salt Tin(II) oxalate814-94-8Salt Sodium oxalate62-76-0Salt Lead(II) oxalate814-93-7Salt Barium oxalate516-02-9Salt

Similar compounds

4-(Diethylamino)benzoic acid5429-28-754 % similar 4-(4-Ethyl-1-piperazinyl)benzenamine115619-01-751 % similar N-Ethyl-N-(2-hydroxyethyl)-p-phenylenediamine sulfate4327-84-850 % similar 4,4'-Bis(diethylamino)benzophenone90-93-750 % similar 4'-Diethylaminoacetophenone5520-66-147 % similar 1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one92394-00-846 % similar 2-((4-Aminophenyl)amino)-2-oxoacetic acid103-92-444 % similar Ethyl 4-(diethylamino)benzoate10287-54-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl 2-propylimidazole-4,5-dicarboxylate144689-94-1 (αS)-α-Hydrazinyl-3,4-dimethoxy-α-methylbenzenepropanoic acid28860-96-0 1-(1,1-Dimethylethyl) 2-methyl (2S,4S)-4-cyano-1,2-pyrrolidinedicarboxylate487048-28-2

Elsewhere

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