2-(Morpholinomethyl)benzoic acid - ≥95% , CAS No.868543-19-5

CAS: 868543-19-5 Cat. No.: B616266 Formula: C₁₂H₁₅NO₃ Peso molecolare: 221.26 PubChem CID: 6484271

GRADE & PURITY ≥95%

Synonyms

2-Morpholin-4-ylmethylbenzoic acid | 2-Morpholin-4-ylmethyl-benzoic acid | SCHEMBL230275 | MFCD06797774 | TS-03165 | AKOS000303399 | 2-MORPHOLIN-4-YLMETHYLBENZOICACID | FT-0656749 | 2-(morpholin-4-ylmethyl)benzoic acid | DTXSID60424445 | EN300-304878 | 2-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

2-Morpholin-4-ylmethylbenzoic acid | 2-Morpholin-4-ylmethyl-benzoic acid | SCHEMBL230275 | MFCD06797774 | TS-03165 | AKOS000303399 | 2-MORPHOLIN-4-YLMETHYLBENZOICACID | FT-0656749 | 2-(morpholin-4-ylmethyl)benzoic acid | DTXSID60424445 | EN300-304878 | 2-

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: C1COCCN1CC2=CC=CC=C2C(=O)O
• IUPAC Name: 2-(morpholin-4-ylmethyl)benzoic acid
• InChIKey: SSEVULBAGRUOPS-UHFFFAOYSA-N
• INCHI: 1S/C12H15NO3/c14-12(15)11-4-2-1-3-10(11)9-13-5-7-16-8-6-13/h1-4H,5-9H2,(H,14,15)
• Isomeri SMILES: C1COCCN1CC2=CC=CC=C2C(=O)O
• PubChem CID: 6484271
• Peso molecolare: 221.26

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 Dialkyl ethers Carboxylic acids Azacyclic 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 aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Peso molecolare: 221.250 g/mol
• XLogP3: -1.400
• 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: 238.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 868543-19-5, the molecular formula is C12H15NO3, and the molecular weight is 221.26 g/mol. InChIKey SSEVULBAGRUOPS-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.