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Nα,Nε-Bis(2,4-dinitrophenyl)-L-lysine - >97.0%(HPLC), high purity , CAS No.1655-49-8
Basic Description
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 Temp | Store at 2-8°C,Argon charged |
Shipped In | Wet ice |
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Names and Identifiers
IUPAC Name | (2S)-2,6-bis(2,4-dinitroanilino)hexanoic acid |
INCHI | 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 |
InChi Key | XFVSVNWYIWINEC-HNNXBMFYSA-N |
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-] |
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 | 2199899 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
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 |
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XLogP3 | 4.700 |
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Hydrogen Bond Donor Count | 3 |
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Hydrogen Bond Acceptor Count | 12 |
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Rotatable Bond Count | 9 |
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Exact Mass | 478.108 Da |
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Monoisotopic Mass | 478.108 Da |
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Topological Polar Surface Area | 245.000 Ų |
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Heavy Atom Count | 34 |
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Formal Charge | 0 |
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Complexity | 760.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 1 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS02 |
Signal | Danger |
Hazard Statements | H228:Flammable solid |
Precautionary Statements | P280:Wear protective gloves/protective clothing/eye protection/face protection. P370+P378:In case of fire: Use ... to extinguish. P210:Keep away from heat, hot surface, sparks, open flames and other ignition sources. - No smoking. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof [electrical/ventilating/lighting/.../] equipment. |
Reaxy-Rn | 2199899 |
Class | 4.1 |
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