chempirical

N,N-Dimethyl-p-phenylenediamine oxalate

C10H14N2O4CAS 24631-29-6226.23 g/mol

Open in Covalent MOL file
NNH2OHOOOH
Carboxylic acidPrimary amineTertiary amine

Properties

Molecular formula
C10H14N2O4
Molar mass
226.23 g/mol
Exact mass
226.0954 Da
logP
0.49Crippen estimate
Polar surface area
103.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Hazards

Not classified as hazardous under GHS by 5 ECHA notifiers. Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
24631-29-6
SMILES
CN(C)c1ccc(N)cc1.O=C(O)C(=O)O
InChIKey
KBIWNQVZKHSHTI-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2.C2H2O4/c1-10(2)8-5-3-7(9)4-6-8;3-1(4)2(5)6/h3-6H,9H2,1-2H3;(H,3,4)(H,5,6)

Weigh it out

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

Names and synonyms

7 names
  • 1,4-Benzenediamine, N1,N1-dimethyl-, ethanedioate (1:1)
  • p-Phenylenediamine, N,N-dimethyl-, monooxalate
  • 1,4-Benzenediamine, N,N-dimethyl-, ethanedioate (1:1)
  • p-Phenylenediamine, N,N-dimethyl-, compd. with oxalic acid
  • p-Aminodimethylaniline oxalate
  • Dimethyl-p-phenylenediamine oxalate
  • N,N-Dimethyl-1,4-phenylenediamine oxalate

Work with N,N-Dimethyl-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

Similar compounds

Dimethyl-4-phenylenediamine99-98-967 % similar N,N-Diethyl-p-phenylenediamine oxalate62637-92-763 % similar p-Amino-N,N-dimethylaniline monohydrochloride2052-46-260 % similar N,N-Dimethyl-P-phenylenediamine dihydrochloride536-46-960 % similar Dimethyl-p-phenylenediamine sulfate536-47-059 % similar N,N-Dimethyl-P-phenylenediamine sulfate6219-73-459 % similar 4-[2-(4-Aminophenyl)diazenyl]-N,N-dimethylbenzenamine539-17-355 % similar 4-(Dimethylamino)benzoic acid619-84-150 % similar

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

Same formula

2-Propyl-1H-imidazole-4,5-dicarboxylic acid dimethyl ester124750-59-0 Carbidopa28860-95-9 3,4,5-Trimethoxybenzohydrazide3291-03-0 N1,N1-Dimethyl-1,4-benzenediamine ethanedioate (2:1)62778-12-5

Elsewhere

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