6-(4-Azido-2-nitrophenylamino)hexanoic acid N-hydroxysuccinimide ester is a photoactive, heterobifunctional cross-linking reagent incorporating an extended spacer. Ordinarily, the initial reaction couples via ester to primary amine by amide bond formation in the pH range of 6.5-8.5. The second bonding, non-specific and rapid, occurs during UV irradiation (250-350 nm) via reactive nitrene.

Specifications

Synonyms

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

Canonical Smiles	C1CC(=O)N(C1=O)OC(=O)CCCCCNC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-]
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 6-(4-azido-2-nitroanilino)hexanoate
InChIKey	NGXDNMNOQDVTRL-UHFFFAOYSA-N
INCHI	1S/C16H18N6O6/c17-20-19-11-5-6-12(13(10-11)22(26)27)18-9-3-1-2-4-16(25)28-21-14(23)7-8-15(21)24/h5-6,10,18H,1-4,7-9H2
Isomeric SMILES	C1CC(=O)N(C1=O)OC(=O)CCCCCNC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-]
Molecular Weight	390.35
Reaxy-Rn	14353174
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14353174&ln=

Documentation

📋 Safety Data Sheet (SDS)

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✅ Certificate of Analysis (COA)

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📊 Datasheet

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🔬 Specification Sheet

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Nitrobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Nitrobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzenes
Alternative Parents	Aniline and substituted anilines Nitroaromatic compounds Phenylalkylamines Phenylazides Secondary alkylarylamines Pyrrolidine-2-ones Dicarboximides Amino acids and derivatives Lactams Azo imides Azo compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitrobenzene - Nitroaromatic compound - Phenylazide - Aniline or substituted anilines - Phenylalkylamine - Secondary aliphatic/aromatic amine - Pyrrolidone - 2-pyrrolidone - Dicarboximide - Pyrrolidine - C-nitro compound - Lactam - Organic nitro compound - Amino acid or derivatives - Azo imide - Azo compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Carboxylic acid derivative - Secondary amine - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Carbonyl group - Organic oxide - Organic zwitterion - Organic salt - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors	Not available
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

3D Structure

Associated Targets(Human)

ACHN (49357 Activities)

Lot Number	Certificate Type	Date	Item
A2412173	Certificate of Analysis	Dec 04, 2023	A333284
A2412190	Certificate of Analysis	Dec 04, 2023	A333284
A2412193	Certificate of Analysis	Dec 04, 2023	A333284
A2412200	Certificate of Analysis	Dec 04, 2023	A333284

Solubility	ethyl acetate: 10 mg/mL and DMF
Sensitivity	Light & Moisture & Heat sensitive
Melt Point(°C)	71° C
Molecular Weight	390.350 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	10
Exact Mass	390.129 Da
Monoisotopic Mass	390.129 Da
Topological Polar Surface Area	136.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	643.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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

6-(4-Azido-2-nitrophenylamino)hexanoic acid N-hydroxysuccinimide ester - ≥98% , CAS No.64309-05-3

Why this grade

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Literature proof

Overview

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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