3-(4-Chlorophenyl)glutaramic acid - ≥98% , CAS No.1141-23-7

CAS: 1141-23-7 Cat. No.: A166064 Formule: C₁₁H₁₂ClNO₃ Poids moléculaire: 241.676 Numéro CE: 700-336-4

GRADE & PURITY ≥98%

Synonyms

3-(4-chlorophenyl)glutaric acid monoamide | AC-19668 | 5-amino-3-(4-chlorophenyl)-5-oxopentanoicacid | b -(4-Chlorophenyl) glutaric acid monoamide | beta-(2-Amino-2-oxoethyl)-4-chlorobenzenepropanoic acid | FT-0613655 | 3-(p-Chlorophenyl)glutaramic acid |

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

3-(4-chlorophenyl)glutaric acid monoamide | AC-19668 | 5-amino-3-(4-chlorophenyl)-5-oxopentanoicacid | b -(4-Chlorophenyl) glutaric acid monoamide | beta-(2-Amino-2-oxoethyl)-4-chlorobenzenepropanoic acid | FT-0613655 | 3-(p-Chlorophenyl)glutaramic acid |

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488194966

Sourires canoniques

C1=CC(=CC=C1C(CC(=O)N)CC(=O)O)Cl

IUPAC Name

5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid

InChIKey

NLCJVRPOYTZTMS-UHFFFAOYSA-N

INCHI

1S/C11H12ClNO3/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H2,13,14)(H,15,16)

Isomères SMILES

C1=CC(=CC=C1C(CC(=O)N)CC(=O)O)Cl

Poids moléculaire

241.676

Reaxy-Rn

2460842

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2460842&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Chlorobenzenes Fatty amides Aryl chlorides Primary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Point de fusion (°C): 168-170°C
• Poids moléculaire: 241.670 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 241.051 Da
• Monoisotopic Mass: 241.051 Da
• Topological Polar Surface Area: 80.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 262.000
• Isotope Atom Count: 0
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1141-23-7, the molecular formula is C11H12ClNO3, and the molecular weight is 241.676 g/mol. InChIKey NLCJVRPOYTZTMS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.