chempirical

At7867

C20H20ClN3CAS 857531-00-1337.85 g/mol

Open in Covalent MOL file
NHHNNCl
Aryl halideSecondary amine

Properties

Molecular formula
C20H20ClN3
Molar mass
337.85 g/mol
Exact mass
337.1346 Da
logP
4.40Crippen estimate
Polar surface area
40.7 Ų
H-bond donors / acceptors
2 / 2
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
857531-00-1
SMILES
C1CNCCC1(C2=CC=C(C=C2)C3=CNN=C3)C4=CC=C(C=C4)Cl
InChIKey
LZMOSYUFVYJEPY-UHFFFAOYSA-N
InChI
InChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)

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Work with At7867

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

Same formula

Fuchsine632-99-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook