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2-[(2R)-2-Hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-1H-isoindole-1，3(2H)-dione - ≥98%, high purity , CAS No.446292-07-5

COA

Grade & Purity:

≥98%

Cas Number: 446292-07-5
Molecular Weight: 395.41
PubChem CID: 11516758

In stock

Item Number

H770641

Grouped product items
SKU	Size	Availability	Price	Qty
H770641-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$318.90
H770641-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,116.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxazinanes
    - Subclass Morpholines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxazinanes
Subclass	Morpholines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmorpholines
Alternative Parents	Phthalimides Isoindoles Aniline and substituted anilines Phenylalkylamines Secondary alkylarylamines N-substituted carboxylic acid imides Tertiary carboxylic acid amides 1,2-aminoalcohols Amino acids and derivatives Secondary alcohols Lactams Dialkyl ethers Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylmorpholine - Phthalimide - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Tertiary carboxylic acid amide - Carboxylic acid imide - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Secondary alcohol - Lactam - Ether - Dialkyl ether - Carboxylic acid derivative - Secondary amine - Azacycle - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Alcohol - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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
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

Names and Identifiers

IUPAC Name	2-[(2R)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione
INCHI	InChI=1S/C21H21N3O5/c25-16(12-24-20(27)17-3-1-2-4-18(17)21(24)28)11-22-14-5-7-15(8-6-14)23-9-10-29-13-19(23)26/h1-8,16,22,25H,9-13H2/t16-/m1/s1
InChIKey	CKFVSMPWXAASIQ-MRXNPFEDSA-N
Smiles	C1COCC(=O)N1C2=CC=C(C=C2)NCC(CN3C(=O)C4=CC=CC=C4C3=O)O
Isomeric SMILES	C1COCC(=O)N1C2=CC=C(C=C2)NC[C@H](CN3C(=O)C4=CC=CC=C4C3=O)O
PubChem CID	11516758
Molecular Weight	395.41

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	395.400 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	395.148 Da
Monoisotopic Mass	395.148 Da
Topological Polar Surface Area	99.200 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	610.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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