7-クロロトリプトファン - ≥95% , CAS No.153-97-9

CAS: 153-97-9 Cat. No.: C698607 分子式: C₁₁H₁₁ClN₂O₂ 分子量: 238.67 PubChem CID: 643956

GRADE & PURITY ≥95%

Synonyms

2-アミノ-3-（7-クロロ-1H-インドール-3-イル）プロパン酸

Storage

2～8℃で保存

Shipped In

濡れた氷

Specifications

同義語

2-アミノ-3-（7-クロロ-1H-インドール-3-イル）プロパン酸

仕様と純度

≥95%

保管条件

2～8℃で保存

入荷

濡れた氷

純度

≥95%

名前と識別子

• パブケム・シド: 528762707
• カノニカル・スマイル: C1=CC2=C(C(=C1)Cl)NC=C2CC(C(=O)O)N
• IUPAC Name: 2-amino-3-(7-chloro-1H-indol-3-yl)propanoic acid
• InChIKey: DMQFGLHRDFQKNR-UHFFFAOYSA-N
• INCHI: 1S/C11H11ClN2O2/c12-8-3-1-2-7-6(5-14-10(7)8)4-9(13)11(15)16/h1-3,5,9,14H,4,13H2,(H,15,16)
• 異性体SMILES: C1=CC2=C(C(=C1)Cl)NC=C2CC(C(=O)O)N
• 代替CAS番号: 153-97-9
• PubChem CID: 643956
• MeSH用語: 7-chlorotryptophan
• 分子量: 238.67

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Indoles and derivatives
      • Subclass Indolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Indoles and derivatives
• Subclass: Indolyl carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolyl carboxylic acids and derivatives
• Alternative Parents: 3-alkylindoles Alpha amino acids Aralkylamines Substituted pyrroles Aryl chlorides Benzenoids Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organochlorides Monoalkylamines Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolyl carboxylic acid derivative - Alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organopnictogen compound - Primary aliphatic amine - Primary amine - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
• External Descriptors: non-proteinogenic alpha-amino acid - tryptophan derivative

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

• 分子量: 238.670 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 238.051 Da
• Monoisotopic Mass: 238.051 Da
• Topological Polar Surface Area: 79.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 275.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1