Beta-alanine beta-naphthylamide hydrobromide - ≥98% , CAS No.201985-01-5

CAS: 201985-01-5 Cat. No.: B1285164 Summenformel: C₁₃H₁₄N₂O•HBr Molekulargewicht: 295.18 EG-Nummer: 686-397-7 PubChem CID: 75487607

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC=C2C=C(C=CC2=C1)NC(=O)CCN.Br
• IUPAC Name: 3-amino-N-naphthalen-2-ylpropanamide;hydrobromide
• InChIKey: NXOOSBFVJFJSAW-UHFFFAOYSA-N
• INCHI: 1S/C13H14N2O.BrH/c14-8-7-13(16)15-12-6-5-10-3-1-2-4-11(10)9-12;/h1-6,9H,7-8,14H2,(H,15,16);1H
• Isomere SMILES: C1=CC=C2C=C(C=CC2=C1)NC(=O)CCN.Br
• PubChem CID: 75487607
• Molekulargewicht: 295.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Beta amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Beta amino acids and derivatives
• Alternative Parents: Naphthalenes N-arylamides Carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Beta amino acid or derivatives - Naphthalene - N-arylamide - Benzenoid - Carboxamide group - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrobromide - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 295.170 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 294.037 Da
• Monoisotopic Mass: 294.037 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 242.000
• 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: 2

XLogP3