Methyl 3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate - ≥98% , CAS No.142166-01-6

CAS: 142166-01-6 Cat. No.: M190884 Peso molecular: 193.2 Número EC: 888-944-7

GRADE & PURITY ≥98%

Synonyms

GD-0753 | Methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate | J-522110 | s10981 | methyl3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate | SY023439 | EN300-3518914 | AKOS005072945 | methyl 3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylate;Methyl 3,4-Di

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

GD-0753 | Methyl 3, 4-dihydro-2H-1, 4-benzoxazine-7-carboxylate | J-522110 | s10981 | methyl3, 4-dihydro-2H-benzo[b][1, 4]oxazine-7-carboxylate | SY023439 | EN300-3518914 | AKOS005072945 | methyl 3, 4-dihydro-2H-benzo[b][1, 4]oxazine-7-carboxylate;Methyl 3, 4-Di

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504768796
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768796
• Sonrisas canónicas: COC(=O)C1=CC2=C(C=C1)NCCO2
• IUPAC Name: methyl 3,4-dihydro-2H-1,4-benzoxazine-7-carboxylate
• InChIKey: QHAIQLAFSPRIGM-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO3/c1-13-10(12)7-2-3-8-9(6-7)14-5-4-11-8/h2-3,6,11H,4-5H2,1H3
• Isómeros SMILES: COC(=O)C1=CC2=C(C=C1)NCCO2
• Peso molecular: 193.2
• Reaxy-Rn: 10535154
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10535154&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzoxazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzoxazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazines
• Alternative Parents: Benzomorpholines Secondary alkylarylamines Alkyl aryl ethers Benzenoids Methyl esters Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzomorpholine - Benzoxazine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Oxazinane - Benzenoid - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Secondary amine - Ether - Carboxylic acid derivative - Azacycle - Oxacycle - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).
• 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

Propiedades químicas y físicas

• Peso molecular: 193.200 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 193.074 Da
• Monoisotopic Mass: 193.074 Da
• Topological Polar Surface Area: 47.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 219.000
• 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