Dbco-C6-acid

C₂₁H₁₉NO₃CAS 1425485-72-8333.39 g/mol

Open in Covalent MOL file

Alkyne Amide Carboxylic acid

Properties

Molecular formula: C₂₁H₁₉NO₃
Molar mass: 333.39 g/mol
Exact mass: 333.1365 Da
logP: 3.58Crippen estimate
Polar surface area: 57.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5

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

1425485-72-8

SMILES

C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCCCC(=O)O

InChIKey

NIRLBCOFKPVQLM-UHFFFAOYSA-N

InChI

InChI=1S/C21H19NO3/c23-20(11-5-6-12-21(24)25)22-15-18-9-2-1-7-16(18)13-14-17-8-3-4-10-19(17)22/h1-4,7-10H,5-6,11-12,15H2,(H,24,25)

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Work with Dbco-C6-acid

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

11,12-Didehydro-gamma-oxodibenz[b,f]azocine-5(6H)-butanoic acid1353016-70-286 % similar Dbco-C6-nhs ester1384870-47-667 % similar Dbco-peg4-se1427004-19-047 % similar Benzenepentanoic acid2270-20-441 % similar 9-Phenylnonanoic acid16269-06-040 % similar 8-Phenyloctanoic acid26547-51-340 % similar 7-Phenyl heptanoic acid40228-90-840 % similar Benzenepentadecanoic acid40228-93-140 % similar

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

Same formula

4-(Bis(4-methoxyphenyl)amino)benzaldehyde89115-20-8

Elsewhere

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