L-N-Benzylserine - ≥97% , CAS No.17136-45-7

CAS: 17136-45-7 Cat. No.: B182047 Formule: C₁₀H₁₃NO₃ Poids moléculaire: 195.2 Numéro CE: 630-649-0

GRADE & PURITY ≥97%

Synonyms

(2S)-2-(benzylamino)-3-hydroxypropanoic acid | (s)-2-(benzylamino)-3-hydroxypropanoic acid | (S)-N-Benzylserine | (S)-N-Benzyl-serine | EN300-7323172 | N-benzylserine | N-benzyl-serine | L-N-Benzylserine | DTXSID10357456 | (s)-(+)-n-benzylserine | N-(phen

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

(2S)-2-(benzylamino)-3-hydroxypropanoic acid | (s)-2-(benzylamino)-3-hydroxypropanoic acid | (S)-N-Benzylserine | (S)-N-Benzyl-serine | EN300-7323172 | N-benzylserine | N-benzyl-serine | L-N-Benzylserine | DTXSID10357456 | (s)-(+)-n-benzylserine | N-(phen

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Sourires canoniques

C1=CC=C(C=C1)CNC(CO)C(=O)O

IUPAC Name

(2S)-2-(benzylamino)-3-hydroxypropanoic acid

InChIKey

CTSBUHPWELFRGB-VIFPVBQESA-N

INCHI

1S/C10H13NO3/c12-7-9(10(13)14)11-6-8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2,(H,13,14)/t9-/m0/s1

Isomères SMILES

C1=CC=C(C=C1)CN[C@@H](CO)C(=O)O

Poids moléculaire

195.2

Reaxy-Rn

2940257

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2940257&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 Serine 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: Serine and derivatives
• Alternative Parents: L-alpha-amino acids Phenylmethylamines Benzylamines Beta hydroxy acids and derivatives Aralkylamines Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Serine or derivatives - Alpha-amino acid - L-alpha-amino acid - Benzylamine - Phenylmethylamine - Beta-hydroxy acid - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Amino acid - Secondary amine - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Primary alcohol - Carbonyl group - Alcohol - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as serine and derivatives. These are compounds containing serine or a derivative thereof resulting from reaction of serine 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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 195.210 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 195.09 Da
• Monoisotopic Mass: 195.09 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 178.000
• 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