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2-Amino-4-morpholinobenzoic Acid - ≥95%, high purity , CAS No.404010-74-8
Basic Description
Specifications & Purity
≥95%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxazinanes
Subclass
Morpholines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylmorpholines
Alternative Parents
Aminobenzoic acids Benzoic acids Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Vinylogous amides Amino acids Oxacyclic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylmorpholine - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzoyl - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Amino acid - Tertiary amine - Amino acid or derivatives - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Organic oxide - Primary amine - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
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.
Names and Identifiers
IUPAC Name
2-amino-4-morpholin-4-ylbenzoic acid
INCHI
InChI=1S/C11H14N2O3/c12-10-7-8(1-2-9(10)11(14)15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2,(H,14,15)
InChIKey
VTRWQMUAQBUSQO-UHFFFAOYSA-N
Smiles
C1COCCN1C2=CC(=C(C=C2)C(=O)O)N
Isomeric SMILES
C1COCCN1C2=CC(=C(C=C2)C(=O)O)N
PubChem CID
17808204
Molecular Weight
222.24
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
222.240 g/mol
XLogP3
1.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
222.1 Da
Monoisotopic Mass
222.1 Da
Topological Polar Surface Area
75.800 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
254.000
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
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