DL-Phenylalanine-¹⁵N - ≥98 atom% 15N , CAS No.81387-53-3

CAS: 81387-53-3 Cat. No.: D471866 Formula: C₆H₅CH₂CH(¹⁵NH₂)CO₂H Peso molecolare: 166.18

GRADE & PURITY ≥98 atom% 15N

Synonyms

HY-B1732S | 2-(15N)azanyl-3-phenylpropanoic acid | DL-Phenylalanine-15N | DL-3-Phenylalanine-15N | SCHEMBL1331205 | DTXSID40514737 | (~15~N)Phenylalanine | DL-Phenylalanine-15N, 98 atom % 15N

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinonimi

HY-B1732S | 2-(15N)azanyl-3-phenylpropanoic acid | DL-Phenylalanine-15N | DL-3-Phenylalanine-15N | SCHEMBL1331205 | DTXSID40514737 | (~15~N)Phenylalanine | DL-Phenylalanine-15N, 98 atom % 15N

Specifiche e purezza

≥98 atom% 15N

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥98 atom% 15N

Nomi e identificatori

Sorrisi canonici

C1=CC=C(C=C1)CC(C(=O)O)N

IUPAC Name

2-(15N)azanyl-3-phenylpropanoic acid

InChIKey

COLNVLDHVKWLRT-DETAZLGJSA-N

INCHI

1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/i10+1

Isomeri SMILES

C1=CC=C(C=C1)CC(C(=O)O)[15NH2]

Peso molecolare

166.18

Reaxy-Rn

1910407

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1910407&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Phenylalanine and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Phenylalanine and derivatives
• Alternative Parents: Phenylpropanoic acids Amphetamines and derivatives Alpha amino acids Aralkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Hygroscopic
• Punto di infiammabilità (°F): Not applicable
• Punto di infiammabilità (°C): Not applicable
• Punto di fusione (°C): 266-267℃ (dec.) (lit.)
• Peso molecolare: 166.180 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.076 Da
• Monoisotopic Mass: 166.076 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 153.000
• Isotope Atom Count: 1
• 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