Ritalinic Acid - ≥98%(HPLC) , CAS No.19395-41-6

CAS: 19395-41-6 Cat. No.: R160919 分子式: C₁₃H₁₇NO₂ 分子量: 219.28 EC番号: 243-020-7

GRADE & PURITY ≥98%(HPLC)

Synonyms

FT-0674439 | s5251 | 1-Methoxy-1-(trimethylsiloxy)-2-methyl-1-propene | L-threo-Ritalinic Acid;(2S)-2-Phenyl-2-[(S)-2-piperidinyl]acetic acid | 2-Phenyl-2-piperidineacetic acid | DTXSID20864888 | MFCD00187112 | 2-Phenyl-2-piperidineacetic acid, 98% | AC-8

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

FT-0674439 | s5251 | 1-Methoxy-1-(trimethylsiloxy)-2-methyl-1-propene | L-threo-Ritalinic Acid;(2S)-2-Phenyl-2-[(S)-2-piperidinyl]acetic acid | 2-Phenyl-2-piperidineacetic acid | DTXSID20864888 | MFCD00187112 | 2-Phenyl-2-piperidineacetic acid, 98% | AC-8

仕様と純度

≥98%(HPLC)

保管条件

Room temperature

入荷

Normal

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

504755849

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504755849

カノニカル・スマイル

C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O

IUPAC Name

2-phenyl-2-piperidin-2-ylacetic acid

InChIKey

INGSNVSERUZOAK-UHFFFAOYSA-N

INCHI

1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)

異性体SMILES

C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O

分子量

219.28

Reaxy-Rn

86213

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=86213&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Piperidines Benzene and substituted derivatives Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Carbonyl group - Organooxygen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
• External Descriptors: piperidines - monocarboxylic acid

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

化学的性質と物理的性質

• 融点（°C）: 245 °C(dec.)
• 分子量: 219.280 g/mol
• XLogP3: -2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 219.126 Da
• Monoisotopic Mass: 219.126 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 236.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1