chempirical

Diethyl-P-phenylenediamine sulfate

C10H18N2O4SCAS 6283-63-2262.32 g/mol

Open in Covalent MOL file
NNH2OSOHOOH
Primary amineTertiary amine

Properties

Molecular formula
C10H18N2O4S
Molar mass
262.32 g/mol
Exact mass
262.0987 Da
Melting point
182–184 °C
logP
1.46Crippen estimate
Polar surface area
103.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3

Identifiers

CAS number
6283-63-2
SMILES
CCN(CC)c1ccc(N)cc1.O=S(=O)(O)O
InChIKey
AYLDJQABCMPYEN-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N2.H2O4S/c1-3-12(4-2)10-7-5-9(11)6-8-10;1-5(2,3)4/h5-8H,3-4,11H2,1-2H3;(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

8 names
  • 1,4-Benzenediamine, N1,N1-diethyl-, sulfate (1:1)
  • p-Phenylenediamine, N,N-diethyl-, sulfate (1:1)
  • 1,4-Benzenediamine, N,N-diethyl-, sulfate (1:1)
  • N,N-Diethyl-p-phenylenediamine sulfate
  • N,N-Diethyl-1,4-phenylenediamine sulfate
  • NSC 7653
  • N,N-Diethylbenzene-1,4-diamine sulfate
  • N,N′-Diethyl-1,4-phenylenediammonium sulfate

Work with Diethyl-P-phenylenediamine sulfate

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

N-Ethyl-N-(2-hydroxyethyl)-P-phenylenediamine sulfate4327-84-878 % similar N,N-Bis(2-hydroxyethyl)-P-phenylenediamine sulfate54381-16-765 % similar N,N-Diethyl-P-phenylenediamine hydrochloride2198-58-564 % similar Dimethyl-p-phenylenediamine sulfate536-47-063 % similar N,N-Dimethyl-P-phenylenediamine sulfate6219-73-463 % similar N,N-Diethyl-p-phenylenediamine oxalate62637-92-762 % similar Benzene-1,4-diamine; hydroxy hydrogen sulfite16245-77-560 % similar p-Aminophenol sulfate63084-98-051 % similar

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

Elsewhere

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