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2-(2,4-Dinitroanilino)pentanedioic acid

HCID 96808
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1655-48-7
Standard SMILES
O=C(O)CCC(Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O
InChIKey
NZBKHTRVUNPZEN-UHFFFAOYSA-N
Molecular formula
C11H11N3O8
Average molar mass
313.22 g/mol
Monoisotopic mass
313.05461432

Names & identifiers

Preferred name
2-(2,4-Dinitroanilino)pentanedioic acid
IUPAC
2-(2,4-dinitroanilino)pentanedioic acid
English name
Dnp-DL-glutamic acid
Molecular formula
C11H11N3O8
Molecular weight
313.22

Names & synonyms

1655-48-7DNP-DL-GLUTAMIC ACID2-(2,4-Dinitroanilino)pentanedioic acidN-(2,4-Dinitrophenyl)-DL-glutamic acid2-[(2,4-dinitrophenyl)amino]pentanedioic acid2,4-Dinitrophenyl-DL-glutamic acidMFCD000381042-((2,4-Dinitrophenyl)amino)pentanedioic acidN-(2,4-Dinitrophenyl)-L-glutamic acid4528-07-8NSC 89619EINECS 216-736-2
Show more names
Dnp-DL-Gultamic acidDinitrophenyl DL glutamic acidDNP-DL-GLUTAMIC ACID USP/EP/BP2-(2,4-dinitroanilino)glutaric acidGlutamic acid, N-(2,4-dinitrophenyl)-N-2-4-dnp-dl-glutamic acid crystalline
N-2,4-Dinitrophenyl-dl-glutamic acidDNP-DL-Glu-OHCHEMBL609966(2,4-Dinitrophenyl)glutamic acidDTXSID001297200NSC89619N-(2,4-dinitrophenyl)glutamic acidNSC-89619

Database identifiers

CAS
1655-48-7

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
178 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
6
Heavy atoms
22
Formal charge
0
Complexity
457

Physicochemical properties

Boiling point
619.9 · 619.9±55.0 °C(Predicted)
Density
1.664 · 1.664±0.06 g/cm3(Predicted)
storage temp.
20 °C · −20°C
pka
3.36 · 3.36±0.10(Predicted)
WGK Germany
3 · 3

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

wgk
3

Chemistry & industry

Suppliers14 total

成都创科诚生物科技有限公司028-028-0000000 13008177686 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
Aladdin Scientific[email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
PubChem CID
96808
DTXSID
DTXSID001297200
ChEMBL
CHEMBL609966
EC Number
216-736-2
Nikkaji
J809.205B