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1-methyl-3-butylxanthine

CAS 31542-48-0C10H14N4O2MW 222.24

1-methyl-3-butylxanthine (CAS 31542-48-0) — formula C10H14N4O2, molecular weight 222.24; category organic chemicals.

Product Overview

CAS Number31542-48-0
Molecular FormulaC10H14N4O2
Molecular Weight222.24
LogP1.29
CategoryOrganic Chemicals

Technical Profile

What this product is

1-methyl-3-butylxanthine is a carbon-based organic compound with CAS registry number 31542-48-0 and molecular formula C10H14N4O2 (molecular weight 222.24), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 31542-48-0

Its molecular formula C10H14N4O2 comprises 10 C, 14 H, 4 N, 2 O atoms.

Also known as: 1-methyl-3-butylxanthine · 1-甲基-3-丁基黄嘌呤

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 1-methyl-3-butylxanthine?

The CAS registry number of 1-methyl-3-butylxanthine is 31542-48-0.

What is the molecular formula and molecular weight of 1-methyl-3-butylxanthine?

Molecular formula C10H14N4O2, molecular weight 222.24.

What other names is 1-methyl-3-butylxanthine known by?

It is also registered under: 1-methyl-3-butylxanthine, 1-甲基-3-丁基黄嘌呤.

Which category does 1-methyl-3-butylxanthine belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for 1-methyl-3-butylxanthine (CAS 31542-48-0), compiled from public chemistry databases.

Registry identifiers across databases

CAS 号31542-48-0
PubChem CID169316
分子式C10H14N4O2
IUPAC 名称3-butyl-1-methyl-7H-purine-2,6-dione

Computed descriptors

Molecular Weight222.24
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass222.11167570
Monoisotopic Mass222.11167570
Topological Polar Surface Area69.3
Heavy Atom Count16

Physicochemical values on record

LogP1.29

Synonyms and trade names

1-Methyl-3-butylxanthine; 31542-48-0; DTXSID80185445; RefChem:911215; DTXCID90107936; 3-Butyl-3,9-dihydro-1-methyl-1H-purine-2,6-dione; CHEMBL130969; SC 2764; Xanthine, 3-butyl-1-methyl-; 3,7-Dihydro-3-butyl-1-methyl-1H-purine-2,6-dione; 3-butyl-1-methyl-3,7-dihydro-1h-purine-2,6-dione; 1-methyl-3-butylisoxanthine; SCHEMBL1331789; 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-1-methyl-; BDBM50001511; 3-Butyl-1-methyl-3,7-dihydro-purine-2,6-dione

What the public record says

1-甲基-3-丁基黄嘌呤 · CAS 31542-48-0 · C10H14N4O2. LogP: 1.29.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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