Dansyl-dl-aspartic acid di(cyclohexylamm

C₂₈H₄₄N₄O₆SCAS 102783-64-2564.74 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine Sulfonamide Tertiary amine

Properties

Molecular formula: C₂₈H₄₄N₄O₆S
Molar mass: 564.74 g/mol
Exact mass: 564.2982 Da
logP: 3.67Crippen estimate
Polar surface area: 176.1 Å²
H-bond donors / acceptors: 5 / 7
Rotatable bonds: 7

Hazards

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

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Identifiers

CAS number

102783-64-2

SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NC(CC(=O)O)C(=O)O.C1CCC(CC1)N.C1CCC(CC1)N

InChIKey

LANKQSXUDGQIRJ-UHFFFAOYSA-N

InChI

InChI=1S/C16H18N2O6S.2C6H13N/c1-18(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)17-12(16(21)22)9-15(19)20;2*7-6-4-2-1-3-5-6/h3-8,12,17H,9H2,1-2H3,(H,19,20)(H,21,22);2*6H,1-5,7H2

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Work with Dansyl-dl-aspartic acid di(cyclohexylamm

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.

Cyclohexylamine108-91-8Free base Cyclohexylammonium bromide26227-54-3Salt Cyclohexylamine hydrochloride4998-76-9Salt 2-(Phosphonooxy)acrylic acid compound with cyclohexylamine (1:3)35556-70-8Salt Cyclohexylammonium phosphoenolpyruvate10526-80-4Salt Phenolphthalein monophosphate bis(cyclohexylammonium) salt14815-59-9Salt Beta-nadph tetra(cyclohexylammonium) salt100929-71-3Salt Phosphoric acid, mono(4-nitrophenyl) ester, compd. with cyclohexanamine (1:2)52483-84-8Salt X-Gluc114162-64-0Salt 5-Bromo-6-chloro-3-indolyl-D-glucuronide cyclohexylammonium salt144110-43-0Salt L-Alanine, N-[[5-(dimethylamino)-1-naphthalenyl]sulfonyl]-, compd. with cyclohexanamine (1:1)53332-27-7Salt L-Ornithine, N5-[imino[[(4-methoxy-2,3,6-trimethylphenyl)sulfonyl]amino]methyl]-N2-[(phenylmethoxy)carbonyl]-, compd. with cyclohexanamine (1:1)80745-09-1Salt

Similar compounds

Dansyl-L-phenylalanine1104-36-562 % similar Fmoc-lys(dansyl)-OH118584-90-049 % similar Dansylhydrazine33008-06-947 % similar Dansyl acid4272-77-938 % similar N-[(4-Methylphenyl)sulfonyl]-L-glutamic acid4816-80-238 % similar 5-(Dimethylamino)-1-naphthalenesulfonyl fluoride34523-28-935 % similar Dansyl chloride605-65-235 % similar (βR)-β-Amino-1-naphthalenebutanoic acid269398-88-134 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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