1-(3'-Carboxypropyl)-3,7-dimethylxanthin, min.98% (HPLC)

Name: 1-(3'-Carboxypropyl)-3,7-dimethylxanthin
Brand: Chempure

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CAS Number

6493-07-8

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IUPAC name	4-(3,7-dimethyl-2,6-dioxopurin-1-yl)butanoic acid
inchi	InChI=1S/C11H14N4O4/c1-13-6-12-9-8(13)10(18)15(11(19)14(9)2)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)
inchi key	WKASGTGXOGALBG-UHFFFAOYSA-N
molecular formula	C11H14N4O4
synonyms	1-(3-Carboxypropyl)-3,7-dimethylxanthine 6493-07-8 1-(3-Carboxypropyl)theobromine 1-(3'-Carboxypropyl)-3,7-dimethylxanthine 1-(3-carboxypropyl)3,7-dimethyl xanthine
Compound Description	1--3,7-dimethylxanthine is an oxopurine.

Computed Properties

Molecular Weight:	266.25 g/mol
XLogP3:	-0.2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	4
Exact Mass:	266.10150494 Da
Monoisotopic Mass:	266.10150494 Da
Topological Polar Surface Area:	95.7 Å²
Heavy Atom Count:	19
Formal Charge:	0
Complexity:	413
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

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Product No: DT8133

1-(3'-Carboxypropyl)-3,7-dimethylxanthin, min.98% (HPLC)

Product No: DT8133

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