chempirical

Liproxstatin-1

C19H21ClN4CAS 950455-15-9340.86 g/mol

Open in Covalent MOL file
NHNClHNNH
AmidineAryl halideSecondary amine

Properties

Molecular formula
C19H21ClN4
Molar mass
340.86 g/mol
Exact mass
340.1455 Da
logP
3.90Crippen estimate
Polar surface area
48.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

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
950455-15-9
SMILES
C1CNCCC12C(=NCC3=CC(=CC=C3)Cl)NC4=CC=CC=C4N2
InChIKey
YAFQFNOUYXZVPZ-UHFFFAOYSA-N
InChI
InChI=1S/C19H21ClN4/c20-15-5-3-4-14(12-15)13-22-18-19(8-10-21-11-9-19)24-17-7-2-1-6-16(17)23-18/h1-7,12,21,24H,8-11,13H2,(H,22,23)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Liproxstatin-1

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

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook