AG00CUCW

Name: 3-Ethyl-1H-purine-2,6(3H,7H)-dione
Brand: Angene Chemical
SKU: AG00CUCW

41078-01-7 | 3-Ethyl-1H-purine-2,6(3H,7H)-dione

AG00CUCW

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CAS Number	41078-01-7
Catalog Number	AG00CUCW(AGN-PC-0JQ995)
Chemical Name	3-Ethyl-1H-purine-2,6(3H,7H)-dione
IUPAC Name	3-ethyl-7H-purine-2,6-dione
InChI	InChI=1S/C7H8N4O2/c1-2-11-5-4(8-3-9-5)6(12)10-7(11)13/h3H,2H2,1H3,(H,8,9)(H,10,12,13)
InChI Key	OTUCSVCIIQRSNG-UHFFFAOYSA-N
MDL Number	MFCD18452334
Molecular Formula	C7H8N4O2
Molecular Weight	180.1640
NSC Number	515505
SMILES	C(C)N1C(NC(C=2NC=NC12)=O)=O
Synonyms	3-ethylxanthine, 41078-01-7, CHEMBL131181, 3-Ethyl-1H-purine-2,6(3H,7H)-dione, 3-ethylxanthin, 3-ethyl-7H-purine-2,6-dione, NSC515505, AC1L6WVB, SCHEMBL7466316, CTK8I6477, DTXSID80325667, OTUCSVCIIQRSNG-UHFFFAOYSA-N, BDBM50001502, AKOS023092889, NSC-515505, 3-Ethyl-3,7-dihydro-purine-2,6-dione, CID350737, 3-Ethyl-3,7-dihydro-1H-purine-2,6-dione,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.065g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	180.167g/mol
Monoisotopic Mass	180.065g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited