Dinitrophenyl-ε-aminocaproic acid

C12H15N3O6CAS 10466-72-5297.27 g/mol

OHOHNN+OO−N+OO−
Carboxylic acidNitroSecondary amine

Properties

Molecular formula
C12H15N3O6
Molar mass
297.27 g/mol
Exact mass
297.0961 Da
Melting point
134 °C (decomposes)
logP
2.56Crippen estimate
Polar surface area
135.6 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
9

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
10466-72-5
SMILES
O=C(O)CCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
ZYUWUKIAUDIXCQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H15N3O6/c16-12(17)4-2-1-3-7-13-10-6-5-9(14(18)19)8-11(10)15(20)21/h5-6,8,13H,1-4,7H2,(H,16,17)

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Names and synonyms

11 names
  • Hexanoic acid, 6-[(2,4-dinitrophenyl)amino]-
  • Hexanoic acid, 6-(2,4-dinitroanilino)-
  • 6-[(2,4-Dinitrophenyl)amino]hexanoic acid
  • ε-2,4-Dinitrophenylaminocaproic acid
  • N-(2,4-Dinitrophenyl)-6-aminocaproic acid
  • 6-(2,4-Dinitroanilino)caproic acid
  • N-(2,4-Dinitrophenyl)-ε-aminocaproic acid
  • [(2,4-Dinitrophenyl)amino]caproic acid
  • DNP-ε-amino-n-caproic acid
  • NSC 89627
  • Dinitrophenyl-epsilon-aminocaproic acid

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Similar compounds

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

Same formula

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