Nα,Nε-Bis(2,4-dinitrophenyl)-L-lysine - ≥97%(HPLC) , CAS No.1655-49-8

CAS: 1655-49-8 Cat. No.: N159379 Molecular Weight: 478.37 EC Number: 216-737-8

GRADE & PURITY ≥97%(HPLC)

Synonyms

A-Bis(2,4-dinitrophenyl)-L-lysine | EINECS 216-737-8 | Dnp-Lys(Dnp)-OH | A,N | DI-DNP-L-LYSINE | N | Di-DNP-lysine | L-Lysine, N2,N6-bis(2,4-dinitrophenyl)- | Bis(dinitrophenyl)lysine | N2,N6-Bis(2,4-dinitrophenyl)-L-lysine | Nalpha,Nepsilon-Bis(2,4-dinit

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

A-Bis(2, 4-dinitrophenyl)-L-lysine | EINECS 216-737-8 | Dnp-Lys(Dnp)-OH | A, N | DI-DNP-L-LYSINE | N | Di-DNP-lysine | L-Lysine, N2, N6-bis(2, 4-dinitrophenyl)- | Bis(dinitrophenyl)lysine | N2, N6-Bis(2, 4-dinitrophenyl)-L-lysine | Nalpha, Nepsilon-Bis(2, 4-dinit

Specifications & Purity

≥97%(HPLC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(HPLC)

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCCC(C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• IUPAC Name: (2S)-2,6-bis(2,4-dinitroanilino)hexanoic acid
• InChIKey: XFVSVNWYIWINEC-HNNXBMFYSA-N
• INCHI: 1S/C18H18N6O10/c25-18(26)15(20-14-7-5-12(22(29)30)10-17(14)24(33)34)3-1-2-8-19-13-6-4-11(21(27)28)9-16(13)23(31)32/h4-7,9-10,15,19-20H,1-3,8H2,(H,25,26)/t15-/m0/s1
• Isomeric SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCC[C@@H](C(=O)O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
• Molecular Weight: 478.37
• Reaxy-Rn: 2826886
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2826886&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dinitroanilines
• Alternative Parents: L-alpha-amino acids Nitrobenzenes Nitro fatty acids Phenylalkylamines Nitroaromatic compounds Medium-chain fatty acids Secondary alkylarylamines Amino fatty acids Amino acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dinitroaniline - L-alpha-amino acid - Alpha-amino acid or derivatives - Alpha-amino acid - Nitrobenzene - Nitro fatty acid - Nitroaromatic compound - Phenylalkylamine - Medium-chain fatty acid - Secondary aliphatic/aromatic amine - Amino fatty acid - Fatty acyl - Fatty acid - Amino acid - Organic nitro compound - C-nitro compound - Amino acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Specific Rotation[α]: -33.5° (C=0.2,AcOH)
• Melt Point(°C): 176 °C
• Molecular Weight: 478.400 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 9
• Exact Mass: 478.108 Da
• Monoisotopic Mass: 478.108 Da
• Topological Polar Surface Area: 245.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 760.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1