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

CAS: 113721-87-2 Cat. No.: A769934 分子式: C₁₆H₁₄N₂O₆ 分子量: 330.29 Beilstein Registry Number: 9007679 EC番号: 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

同義語

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-

仕様と純度

BioReagent, ≥95%(HPLC)

安定性と保管

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

保管条件

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

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

BioReagent

純度

≥95%(HPLC)

名前と識別子

• パブケム・シド: 528762637
• カノニカル・スマイル: 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
• 異性体SMILES: CC1=C(C(=O)OC2=C1C=CC(=C2)N)CC(=O)ON3C(=O)CCC3=O
• WGKドイツ: 3
• 分子量: 330.29
• Beilstein: 9007679

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: DMF: soluble; DMSO: soluble
• 分子量: 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