acide 4-(Morpholinométhyl)benzoïque - ≥98% , CAS No.62642-62-0

CAS: 62642-62-0 Cat. No.: M194267 Formule: C₁₂H₁₅NO₃ Poids moléculaire: 221.25 Numéro CE: 676-819-8

GRADE & PURITY ≥98%

Synonyms

EN300-40672 | 4-(morpholin-4-ylmethyl)benzoic acid | 4-(morpholinomethyl)benzoicacid | SCHEMBL426993 | Benzoicacid,4-(4-morpholinylmethyl)- | Oprea1_860033 | CBMicro_000050 | QYBXZYYECZFQRX-UHFFFAOYSA-N | 4-morpholinomethylbenzoic acid | SY040868 | 4-(4-M

Storage

Température ambiante

Shipped In

Normal

Specifications

Synonymes

EN300-40672 | 4-(morpholin-4-ylmethyl)benzoic acid | 4-(morpholinomethyl)benzoicacid | SCHEMBL426993 | Benzoicacid,4-(4-morpholinylmethyl)- | Oprea1_860033 | CBMicro_000050 | QYBXZYYECZFQRX-UHFFFAOYSA-N | 4-morpholinomethylbenzoic acid | SY040868 | 4-(4-M

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Température ambiante

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488191194
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191194
• Sourires canoniques: C1COCCN1CC2=CC=C(C=C2)C(=O)O
• IUPAC Name: 4-(morpholin-4-ylmethyl)benzoic acid
• InChIKey: QYBXZYYECZFQRX-UHFFFAOYSA-N
• INCHI: 1S/C12H15NO3/c14-12(15)11-3-1-10(2-4-11)9-13-5-7-16-8-6-13/h1-4H,5-9H2,(H,14,15)
• Isomères SMILES: C1COCCN1CC2=CC=C(C=C2)C(=O)O
• Poids moléculaire: 221.25
• Reaxy-Rn: 4864736
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4864736&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Morpholines Trialkylamines Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzoic acid - Benzoyl - Benzylamine - Phenylmethylamine - Aralkylamine - Morpholine - Oxazinane - Amino acid or derivatives - Amino acid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
• 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

• Poids moléculaire: 221.250 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 221.105 Da
• Monoisotopic Mass: 221.105 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 230.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

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 62642-62-0, the molecular formula is C12H15NO3, and the molecular weight is 221.25 g/mol. InChIKey QYBXZYYECZFQRX-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.