Methyl 4-aminochroman-7-carboxylate - ≥95% , CAS No.361370-01-6

CAS: 361370-01-6 Cat. No.: M670113 Molecular Weight: 207.23 PubChem CID: 20824488

GRADE & PURITY ≥95%

Synonyms

methyl 4-aminochroman-7-carboxylate | methyl 4-amino-3,4-dihydro-2H-chromene-7-carboxylate | SCHEMBL785716 | MYTMBSZOIXTIDU-UHFFFAOYSA-N | 4-aminochromane-7-carboxylic acid methyl ester | methyl 4-amino-3,4-dihydro-2H-1-benzopyran-7-carboxylate

Storage

Room temperature

Specifications

Synonyms

methyl 4-aminochroman-7-carboxylate | methyl 4-amino-3, 4-dihydro-2H-chromene-7-carboxylate | SCHEMBL785716 | MYTMBSZOIXTIDU-UHFFFAOYSA-N | 4-aminochromane-7-carboxylic acid methyl ester | methyl 4-amino-3, 4-dihydro-2H-1-benzopyran-7-carboxylate

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Product Properties

• ALogP: 0.8

Names and Identifiers

• Canonical Smiles: COC(=O)C1=CC2=C(C=C1)C(CCO2)N
• IUPAC Name: methyl 4-amino-3,4-dihydro-2H-chromene-7-carboxylate
• InChIKey: MYTMBSZOIXTIDU-UHFFFAOYSA-N
• INCHI: 1S/C11H13NO3/c1-14-11(13)7-2-3-8-9(12)4-5-15-10(8)6-7/h2-3,6,9H,4-5,12H2,1H3
• Isomeric SMILES: COC(=O)C1=CC2=C(C=C1)C(CCO2)N
• PubChem CID: 20824488
• Molecular Weight: 207.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-benzopyrans
• Alternative Parents: Aralkylamines Alkyl aryl ethers Benzenoids Methyl esters Amino acids and derivatives Oxacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-benzopyran - Alkyl aryl ether - Aralkylamine - Benzenoid - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Ether - Oxacycle - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Organic oxide - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
• 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