Amberlite IRC 50

C₂₃H₃₇Cl₂N₃OCAS 9002-29-3442.47 g/mol

Open in Covalent MOL file

Amide Primary amine Tertiary amine

Properties

Molecular formula: C₂₃H₃₇Cl₂N₃O
Molar mass: 442.47 g/mol
Exact mass: 441.2314 Da
logP: 4.11Crippen estimate
Polar surface area: 49.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

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

9002-29-3

SMILES

CC1CCN(CCN1CC2=CC=CC=C2)C(=O)C3CC4CCCC(C3)C4N.Cl.Cl

InChIKey

DPEYHNFHDIXMNV-UHFFFAOYSA-N

InChI

InChI=1S/C23H35N3O.2ClH/c1-17-10-11-25(12-13-26(17)16-18-6-3-2-4-7-18)23(27)21-14-19-8-5-9-20(15-21)22(19)24;;/h2-4,6-7,17,19-22H,5,8-16,24H2,1H3;2*1H

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Names and synonyms

2 names

IRC 50
Amberlites IRC-50

Work with Amberlite IRC 50

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

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

Elsewhere

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