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2-(2-Aminoethyl)-3'，6'-bis(diethylamino)spiro[isoindoline-1，9'-xanthen]-3-one - ≥95%, high purity , CAS No.950846-89-6

COA

Grade & Purity:

≥95%

Cas Number: 950846-89-6
Molecular Weight: 484.64
MDL number: MFCD20922790
PubChem CID: 71306606

In stock

Item Number

B768512

Grouped product items
SKU	Size	Availability	Price
B768512-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$31.90
B768512-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
B768512-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$210.90
B768512-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$932.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Benzopyrans
    - Subclass 1-benzopyrans
      - Level5 Dibenzopyrans
        Level6 Xanthenes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Benzopyrans
Subclass	1-benzopyrans
Intermediate Tree Nodes	Dibenzopyrans
Direct Parent	Xanthenes
Alternative Parents	Diarylethers Isoindolones Isoindoles Dialkylarylamines Benzenoids Tertiary carboxylic acid amides Lactams Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Xanthene - Diaryl ether - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzenoid - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Ether - Oxacycle - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
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-(2-aminoethyl)-3',6'-bis(diethylamino)spiro[isoindole-3,9'-xanthene]-1-one
INCHI	InChI=1S/C30H36N4O2/c1-5-32(6-2)21-13-15-25-27(19-21)36-28-20-22(33(7-3)8-4)14-16-26(28)30(25)24-12-10-9-11-23(24)29(35)34(30)18-17-31/h9-16,19-20H,5-8,17-18,31H2,1-4H3
InChIKey	HSABBFJVLMEXKT-UHFFFAOYSA-N
Smiles	CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=CC=CC=C5C(=O)N3CCN
Isomeric SMILES	CCN(CC)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)N(CC)CC)C5=CC=CC=C5C(=O)N3CCN
PubChem CID	71306606
Molecular Weight	484.64

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	484.600 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	484.284 Da
Monoisotopic Mass	484.284 Da
Topological Polar Surface Area	62.000 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	717.000
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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