chempirical

2,4-Dinitrophenyl-L-alanine

C9H9N3O6CAS 1655-52-3255.19 g/mol

Open in Covalent MOL file
HNN+OO−N+OO−OHO
Carboxylic acidNitroSecondary amine

Properties

Molecular formula
C9H9N3O6
Molar mass
255.19 g/mol
Exact mass
255.0491 Da
Melting point
175–178 °C (decomposes)
logP
1.39Crippen estimate
Polar surface area
135.6 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
1655-52-3
SMILES
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O
InChIKey
KKHLKORVTUUSBC-YFKPBYRVSA-N
InChI
InChI=1S/C9H9N3O6/c1-5(9(13)14)10-7-3-2-6(11(15)16)4-8(7)12(17)18/h2-5,10H,1H3,(H,13,14)/t5-/m0/s1

Weigh it out

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

Names and synonyms

7 names
  • L-Alanine, N-(2,4-dinitrophenyl)-
  • Alanine, N-(2,4-dinitrophenyl)-, L-
  • N-(2,4-Dinitrophenyl)-L-alanine
  • 1-N-2,4-Dinitrophenyl-L-alanine
  • DNP-L-alanine
  • NSC 89605
  • (S)-2-((2,4-Dinitrophenyl)amino)propanoic acid

Work with 2,4-Dinitrophenyl-L-alanine

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

N-(2,4-Dinitrophenyl)-L-valine1694-97-974 % similar N-(2,4-Dinitrophenyl)-L-serine1655-64-767 % similar N-(2,4-Dinitrophenyl)glycine1084-76-054 % similar Disperse yellow 1119-15-350 % similar 1-(2,4-Dinitrophenyl)-2-(propan-2-ylidene)hydrazine1567-89-150 % similar 2-(4-Nitrophenyl)propionic acid19910-33-950 % similar Dinitrophenyl-ε-aminocaproic acid10466-72-548 % similar 2-[(2,4-Dinitrophenyl)amino]ethanol1945-92-248 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook