7-AMCA NHS Ester - BioReagent, ≥95%(HPLC) , CAS No.113721-87-2

CAS: 113721-87-2 Cat. No.: A769934 Formule: C₁₆H₁₄N₂O₆ Poids moléculaire: 330.29 Beilstein Registry Number: 9007679 Numéro CE: 635-008-9

GRADE & PURITY BioReagent, ≥95%(HPLC)

Synonyms

7-(Dimethylamino)coumarin-4-acetic acid-NHS | 7-Amino-4-methyl-3coumarinylacetyl | N-Succinimidyl 7-amino-4-methyl-3-coumarinylacetate | 2H-1-Benzopyran-3-acetic acid, 7-amino-4-methyl-2-oxo-, 2,5-dioxo-1-pyrrolidinyl ester | (2,5-dioxopyrrolidin-1-yl) 2-

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

7-(Dimethylamino)coumarin-4-acetic acid-NHS | 7-Amino-4-methyl-3coumarinylacetyl | N-Succinimidyl 7-amino-4-methyl-3-coumarinylacetate | 2H-1-Benzopyran-3-acetic acid, 7-amino-4-methyl-2-oxo-, 2,5-dioxo-1-pyrrolidinyl ester | (2,5-dioxopyrrolidin-1-yl) 2-

Spécifications et pureté

BioReagent, ≥95%(HPLC)

Stabilité et stockage

Store at -20℃ (24 months). Store in the dark. Desiccated

Conditions de stockage de stockage

Protected from light,Store at -20°C,Desiccated

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

BioReagent

Pureté

≥95%(HPLC)

Noms et identifiants

• Pubchem Sid: 528762637
• Sourires canoniques: CC1=C(C(=O)OC2=C1C=CC(=C2)N)CC(=O)ON3C(=O)CCC3=O
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 2-(7-amino-4-methyl-2-oxochromen-3-yl)acetate
• InChIKey: ILKQVTIMOGNSAS-UHFFFAOYSA-N
• INCHI: 1S/C16H14N2O6/c1-8-10-3-2-9(17)6-12(10)23-16(22)11(8)7-15(21)24-18-13(19)4-5-14(18)20/h2-3,6H,4-5,7,17H2,1H3
• Isomères SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)N)CC(=O)ON3C(=O)CCC3=O
• WGK Allemagne: 3
• Poids moléculaire: 330.29
• Beilstein: 9007679

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: 1-benzopyrans Pyranones and derivatives Pyrrolidine-2-ones Primary aromatic amines Benzenoids Heteroaromatic compounds Dicarboximides Amino acids and derivatives Lactones Lactams Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - Benzopyran - 1-benzopyran - Pyranone - Primary aromatic amine - Pyran - Pyrrolidone - 2-pyrrolidone - Benzenoid - Dicarboximide - Pyrrolidine - Heteroaromatic compound - Amino acid or derivatives - Lactam - Lactone - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Amine - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• 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

Propriétés chimiques et physiques

• Solubilité: DMF: soluble; DMSO: soluble
• Poids moléculaire: 330.290 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 330.085 Da
• Monoisotopic Mass: 330.085 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 624.000
• 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