chempirical

2,5-Diaminotoluene sulfate

C7H12N2O4SCAS 615-50-9220.24 g/mol

Open in Covalent MOL file
NH2H2NOSOHOOH
Primary amine

Properties

Molecular formula
C7H12N2O4S
Molar mass
220.24 g/mol
Exact mass
220.0518 Da
logP
0.51Crippen estimate
Polar surface area
126.6 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
0

Identifiers

CAS number
615-50-9
SMILES
Cc1cc(N)ccc1N.O=S(=O)(O)O
InChIKey
KZTWOUOZKZQDMN-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2.H2O4S/c1-5-4-6(8)2-3-7(5)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

5 names
  • 1,4-Benzenediamine, 2-methyl-, sulfate (1:1)
  • Toluene-2,5-diamine, sulfate (1:1)
  • C.I. 76043
  • NSC 1703
  • 2-Methylbenzene-1,4-diamine sulfate

Work with 2,5-Diaminotoluene 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

2,5-Diaminotoluene95-70-569 % similar 2-Methylbenzene-1,4-diamine dihydrochloride615-45-263 % similar 2,5-Diaminoanisole sulfate66671-82-762 % similar 2-Chloro-1,4-diaminobenzene monosulfate61702-44-161 % similar C.I. Oxidation base 13A6219-71-261 % similar Phenol, 2,4-diamino-, sulfate (1:?)74283-34-458 % similar 2,4-Diaminoanisole sulfate39156-41-758 % similar Benzene-1,4-diamine; hydroxy hydrogen sulfite16245-77-557 % similar

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

Same formula

S-Nitroso-N-acetyl-dl-penicillamine67776-06-1

Elsewhere

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