chempirical

Potassium benzyl N-[2-(trifluoroboranuidyl)ethyl]carbamate

C10H12BF3KNO2CAS 926280-84-4285.11 g/mol

Open in Covalent MOL file
B−NHOOFFFK+
Carbamate

Properties

Molecular formula
C10H12BF3KNO2
Molar mass
285.11 g/mol
Exact mass
285.0550 Da
logP
-0.24Crippen estimate
Polar surface area
38.3 Ų
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
926280-84-4
SMILES
[B-](CCNC(=O)OCC1=CC=CC=C1)(F)(F)F.[K+]
InChIKey
STXOIKJBESFMEO-UHFFFAOYSA-N
InChI
InChI=1S/C10H12BF3NO2.K/c12-11(13,14)6-7-15-10(16)17-8-9-4-2-1-3-5-9;/h1-5H,6-8H2,(H,15,16);/q-1;+1

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Work with Potassium benzyl N-[2-(trifluoroboranuidyl)ethyl]carbamate

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

Benzyl N-(2-hydroxyethyl)carbamate77987-49-661 % similar Benzyl N-(3-hydroxypropyl)carbamate34637-22-457 % similar Benzyl (3-Oxopropyl)carbamate65564-05-857 % similar Benzyl N-(2-aminoethyl)carbamate hydrochloride18807-71-156 % similar Benzyl N-(3-aminopropyl)carbamate hydrochloride17400-34-953 % similar N-Carbobenzoxyaminoacetonitrile3589-41-152 % similar 5-(Carbobenzoxyamino)valeric acid23135-50-452 % similar N-Benzyloxycarbonylglycine thioamide49548-40-549 % similar

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

Elsewhere

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