chempirical

1,1-Dimethylethyl N-(4-formyl-3-pyridinyl)carbamate

C11H14N2O3CAS 116026-95-0222.24 g/mol

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OOHNNO
Aldehyde

Properties

Molecular formula
C11H14N2O3
Molar mass
222.24 g/mol
Exact mass
222.1004 Da
Melting point
52–53 °C
logP
2.25Crippen estimate
Polar surface area
71.8 Ų
H-bond donors / acceptors
1 / 4
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
116026-95-0
SMILES
CC(C)(C)OC(O)=Nc1cnccc1C=O
InChIKey
YLKONQAWPOHLPX-UHFFFAOYSA-N
InChI
InChI=1S/C11H14N2O3/c1-11(2,3)16-10(15)13-9-6-12-5-4-8(9)7-14/h4-7H,1-3H3,(H,13,15)

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Names and synonyms

5 names
  • Carbamic acid, N-(4-formyl-3-pyridinyl)-, 1,1-dimethylethyl ester
  • Carbamic acid, (4-formyl-3-pyridinyl)-, 1,1-dimethylethyl ester
  • tert-Butyl (4-formylpyridin-3-yl)carbamate
  • (4-Formyl-pyridin-3-yl)-carbamic acid tert-butyl ester
  • tert-Butyl 4-formylpyridin-3-ylcarbamate

Work with 1,1-Dimethylethyl N-(4-formyl-3-pyridinyl)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

1,1-Dimethylethyl N-(2-boronophenyl)carbamate115377-94-142 % similar 5-tert-Butoxycarbonylamino-2-chloroisonicotinic acid171178-46-441 % similar 3-Hydroxyisonicotinaldehyde1849-54-341 % similar 3-Methyl-4-pyridinecarboxaldehyde74663-96-041 % similar (αR)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-pyridinepropanoic acid98266-33-241 % similar tert-Butyl N-(furan-3-yl)carbamate56267-48-239 % similar 3-Formyl-4-methoxypyridine82257-15-638 % similar 1,1-Dimethylethyl N-4-thiazolylcarbamate1235406-42-438 % similar

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

Same formula

N-Acetyl-L-tyrosinamide1948-71-6 tert-Butyl (5-formylpyridin-2-yl)carbamate199296-40-7 Glycylphenylalanine3321-03-7 Glycylphenylalanine721-66-4

Elsewhere

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