3-(2-Naphthyl)-D-alanine - ≥98% , CAS No.76985-09-6

CAS: 76985-09-6 Cat. No.: A101088 Formula: C₁₃H₁₃NO₂ Peso molecolare: 215.25 Beilstein Registry Number: 4352384

GRADE & PURITY ≥98%

Synonyms

.BETA.-NAPHTHYL-D-ALA | 2-NAPHTHALENEPROPANOIC ACID, .ALPHA.-AMINO-, (R)- | D-3-(2-Naphthyl )-alanine | .BETA.-2-NAPHTHYL-D-ALANINE | d-3-(2-naphthyl)alanine | D-3-(2-Naphthyl)-alanine | 3-(2-Naphthyl)-D-alanine | H-D-2-NAL-OH | H-D-2Nal-OH | D-2-NAPHTHYL

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

.BETA.-NAPHTHYL-D-ALA | 2-NAPHTHALENEPROPANOIC ACID, .ALPHA.-AMINO-, (R)- | D-3-(2-Naphthyl )-alanine | .BETA.-2-NAPHTHYL-D-ALANINE | d-3-(2-naphthyl)alanine | D-3-(2-Naphthyl)-alanine | 3-(2-Naphthyl)-D-alanine | H-D-2-NAL-OH | H-D-2Nal-OH | D-2-NAPHTHYL

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488192419

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488192419

Sorrisi canonici

C1=CC=C2C=C(C=CC2=C1)CC(C(=O)O)N

IUPAC Name

(2R)-2-amino-3-naphthalen-2-ylpropanoic acid

InChIKey

JPZXHKDZASGCLU-GFCCVEGCSA-N

INCHI

1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m1/s1

Isomeri SMILES

C1=CC=C2C=C(C=CC2=C1)C[C@H](C(=O)O)N

WGK Germania

3

Peso molecolare

215.25

Beilstein

4352384

Reaxy-Rn

3281455

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3281455&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: D-alpha-amino acids Aralkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Naphthalene - Aralkylamine - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Organic oxygen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

• Rotazione specifica [α]: 13 ° (C=1, 1mol/L HCl)
• Peso molecolare: 215.250 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 215.095 Da
• Monoisotopic Mass: 215.095 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 254.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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