chempirical

Color developing agent 3

C12H23N3O6S2CAS 25646-71-3369.45 g/mol

Open in Covalent MOL file
NNHSOONH2OSOHOOH
Primary amineSulfonamideTertiary amine

Properties

Molecular formula
C12H23N3O6S2
Molar mass
369.45 g/mol
Exact mass
369.1028 Da
logP
0.30Crippen estimate
Polar surface area
150.0 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
6

Identifiers

CAS number
25646-71-3
SMILES
CCN(CCNS(C)(=O)=O)c1ccc(N)c(C)c1.O=S(=O)(O)O
InChIKey
CLJDCQWROXMJAZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H21N3O2S.H2O4S/c1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11;1-5(2,3)4/h5-6,9,14H,4,7-8,13H2,1-3H3;(H2,1,2,3,4)

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Names and synonyms

8 names
  • Methanesulfonamide, N-[2-[(4-amino-3-methylphenyl)ethylamino]ethyl]-, sulfate (2:3)
  • Methanesulfonamide, N-[2-(4-amino-N-ethyl-m-toluidino)ethyl]-, sulfate (2:3)
  • 4-Amino-N-ethyl-N-[β-methanesulfonamidoethyl]-m-toluidine sesquisulfate
  • 4-Amino-3-methyl-N-ethyl-N-β-(methanesulfonamido)ethylaniline sesquisulfate
  • CD 3
  • Kodak CD 3
  • CD-III
  • FCD 03

Work with Color developing agent 3

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 425646-77-970 % similar 3-Methyl-4-amino-N,N-diethylaniline hydrochloride2051-79-850 % similar 2,5-Diaminotoluene sulfate615-50-945 % similar N-Ethyl-N-(2-hydroxyethyl)-P-phenylenediamine sulfate4327-84-845 % similar Diethyl-P-phenylenediamine sulfate6283-63-244 % similar 4-Amino-3-methylbenzenesulfonic acid98-33-938 % similar 4-[Ethyl(2-hydroxyethyl)amino]-2-methylbenzaldehyde21850-52-237 % similar N1,N1-Diethyl-4-(ethylsulfonyl)-1,3-benzenediamine1220028-93-237 % similar

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

Elsewhere

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