L-α-Aminoxy-β-phenylpropionic Acid Hydrobromide , CAS No.73086-97-2

CAS: 73086-97-2 Cat. No.: L354512 분자식: C₉H₁₁NO₃・HBr 분자량: 262.1

Synonyms

(2S)-2-(Aminooxy)-3-phenylpropanoic acid hydrobromide | HY-134230A | (S)-alpha-Aminoxy-beta-phenylpropionic Acid Hydrobromide | L- alpha -Aminoxy- beta -phenylpropionic Acid Hydrobromide | (2S)-2-aminooxy-3-phenylpropanoic acid;hydrobromide | L-2-Aminooxy

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

(2S)-2-(Aminooxy)-3-phenylpropanoic acid hydrobromide | HY-134230A | (S)-alpha-Aminoxy-beta-phenylpropionic Acid Hydrobromide | L- alpha -Aminoxy- beta -phenylpropionic Acid Hydrobromide | (2S)-2-aminooxy-3-phenylpropanoic acid;hydrobromide | L-2-Aminooxy

보관 조건

Room temperature

배송

Normal

작업 유형

INHIBITOR

이름과 식별자

정식 스마일

C1=CC=C(C=C1)CC(C(=O)O)ON.Br

IUPAC Name

(2S)-2-aminooxy-3-phenylpropanoic acid;hydrobromide

InChIKey

YENJJZAVLSPBIZ-QRPNPIFTSA-N

INCHI

1S/C9H11NO3.BrH/c10-13-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H/t8-;/m0./s1

이성체 SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)ON.Br

분자량

262.1

Reaxy-Rn

52185052

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=52185052&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Benzene and substituted derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Hydrobromides Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Benzenoid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Hydrobromide - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• 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

화학 및 물리적 특성

• 분자량: 262.100 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 261 Da
• Monoisotopic Mass: 261 Da
• Topological Polar Surface Area: 72.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 166.000
• 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: 2

XLogP3