Color developing agent cd-3

C₂₄H₅₀N₆O₁₇S₅CAS 24567-76-8854.99 g/mol

Open in Covalent MOL file

Primary amine Sulfonamide Tertiary amine

Properties

Molecular formula: C₂₄H₅₀N₆O₁₇S₅
Molar mass: 854.99 g/mol
Exact mass: 854.1836 Da
logP: -0.88Crippen estimate
Polar surface area: 406.2 Å²
H-bond donors / acceptors: 10 / 14
Rotatable bonds: 12

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

24567-76-8

SMILES

CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O

InChIKey

NJHNNLREFCWCRT-UHFFFAOYSA-N

InChI

InChI=1S/2C12H21N3O2S.3H2O4S.H2O/c2*1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11;3*1-5(2,3)4;/h2*5-6,9,14H,4,7-8,13H2,1-3H3;3*(H2,1,2,3,4);1H2

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Color developing agent 325646-71-3Salt

Similar compounds

Color developing agent 425646-77-966 % similar 3-Methyl-4-amino-N,N-diethylaniline hydrochloride2051-79-847 % similar 2,5-Diaminotoluene sulfate615-50-943 % similar N-Ethyl-N-(2-hydroxyethyl)-p-phenylenediamine sulfate4327-84-843 % similar Diethyl-p-phenylenediamine sulfate6283-63-242 % similar 4-Amino-3-methylbenzenesulfonic acid98-33-936 % similar 4-[Ethyl(2-hydroxyethyl)amino]-2-methylbenzaldehyde21850-52-235 % similar N1,N1-Diethyl-4-(ethylsulfonyl)-1,3-benzenediamine1220028-93-235 % similar

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

Elsewhere

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