chempirical

Color developing agent 4

C11H20N2O5SCAS 25646-77-9292.35 g/mol

Open in Covalent MOL file
NHONH2OSOHOOH
AlcoholPrimary amineTertiary amine

Properties

Molecular formula
C11H20N2O5S
Molar mass
292.35 g/mol
Exact mass
292.1093 Da
logP
0.74Crippen estimate
Polar surface area
124.1 Ų
H-bond donors / acceptors
4 / 5
Rotatable bonds
4

Identifiers

CAS number
25646-77-9
SMILES
CCN(CCO)c1ccc(N)c(C)c1.O=S(=O)(O)O
InChIKey
GVEYRUKUJCHJSR-UHFFFAOYSA-N
InChI
InChI=1S/C11H18N2O.H2O4S/c1-3-13(6-7-14)10-4-5-11(12)9(2)8-10;1-5(2,3)4/h4-5,8,14H,3,6-7,12H2,1-2H3;(H2,1,2,3,4)

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Names and synonyms

7 names
  • Ethanol, 2-[(4-amino-3-methylphenyl)ethylamino]-, sulfate (1:1) (salt)
  • Ethanol, 2-[(4-amino-3-methylphenyl)ethylamino]-, sulfate (1:1)
  • CD 4
  • Kodak CD 4
  • PPD 4
  • 4-(N-Ethyl-N-2-hydroxyethyl)-2-methylphenylenediamine sulfate
  • (4-Ammonio-m-tolyl)ethyl(2-hydroxyethyl)ammonium sulfate

Work with Color developing agent 4

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

Color developing agent 325646-71-370 % similar N-Ethyl-N-(2-hydroxyethyl)-P-phenylenediamine sulfate4327-84-866 % similar 3-Methyl-4-amino-N,N-diethylaniline hydrochloride2051-79-857 % similar 4-[Ethyl(2-hydroxyethyl)amino]-2-methylbenzaldehyde21850-52-255 % similar N,N-Bis(2-hydroxyethyl)-P-phenylenediamine sulfate54381-16-752 % similar 2,5-Diaminotoluene sulfate615-50-951 % similar Diethyl-P-phenylenediamine sulfate6283-63-250 % similar 3-Methyl-N-ethyl-N-(β-hydroxyethyl)aniline91-88-346 % similar

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

Same formula

S-[(Acetylamino)methyl]-N-[(1,1-dimethylethoxy)carbonyl]-L-cysteine19746-37-3

Elsewhere

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