Cas no 28822-58-4 (3-Isobutyl-1-methylxanthine)

3-Isobutyl-1-methylxanthine structure
3-Isobutyl-1-methylxanthine structure
Product Name:3-Isobutyl-1-methylxanthine
CAS No:28822-58-4
MF:C10H14N4O2
MW:222.243761539459
MDL:MFCD00005584
CID:53379
PubChem ID:24896107
Update Time:2025-04-18

3-Isobutyl-1-methylxanthine Chemical and Physical Properties

Names and Identifiers

    • 3-Isobutyl-1-methyl-1H-purine-2,6(3H,7H)-dione
    • 3,7-Dihydro-3-isobutyl-1-methyl-1H-purine-2,6-dione
    • 3-Isobutyl-1-Methylxanthine
    • 1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
    • 3-Isobutyl-1-methyl-3,9-dihydro-1H-purine-2,6-dione
    • IBMX
    • IBMX (NSC 165960,1-Methyl-3-Isobutylxanthine,Isobutylmethylxanthine)
    • 1-METHYL-3-ISOBUTYLXANTHINE
    • 3-Isobutyl-1-methylxanthine (IBMX)
    • 3-Isobutyl-1-methyxanthine
    • 3-isobutylmethylxanthine
    • IMX
    • isobutylmethylxanthine
    • Methylergometrine maleate
    • Methylisobutylxanthine
    • NSC165960
    • SC2964
    • Xanthine,3-isobutyl-1-methyl
    • 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-
    • Xanthine, 3-isobutyl-1-methyl-
    • Methyl-isobutylxanthine
    • 3-Isobutyl 1-methylxanthine
    • 3-isobutyl-1-methyl-7H-xanthin
    • 3-Isobutyl-1-methylxanthine
    • MDL： MFCD00005584
    • Inchi： 1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
    • InChI Key： APIXJSLKIYYUKG-UHFFFAOYSA-N
    • SMILES： O=C1N(C)C(C2=C(N=CN2)N1CC(C)C)=O

Computed Properties

  • Exact Mass: 222.11200
  • Monoisotopic Mass: 222.111676
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 318
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 4
  • XLogP3: 1.5
  • Topological Polar Surface Area: 69.3

Experimental Properties

  • Color/Form: White to light gray crystalline powder
  • Density: 1.2042 (rough estimate)
  • Melting Point: 200-201?°C (lit.)
  • Boiling Point: 363.42°C (rough estimate)
  • Flash Point: 223.3oC
  • Refractive Index: 1.6500 (estimate)
  • Solubility: DMSO: 1?M with gentle warming
  • PSA: 72.68000
  • LogP: 0.07930
  • Solubility: Almost insoluble in water, soluble in ethanol, 2-propanol

3-Isobutyl-1-methylxanthine Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H302
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 22
  • Safety Instruction： S24/25
  • RTECS：ZD8500000
  • Hazardous Material Identification： Xn
  • Storage Condition：Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month
  • Risk Phrases：R22

3-Isobutyl-1-methylxanthine Customs Data

  • HS CODE：2942000000
  • Customs Data：

    China Customs Code:

    2942000000

3-Isobutyl-1-methylxanthine Pricemore >>

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3-Isobutyl-1-methylxanthine Production Method

3-Isobutyl-1-methylxanthine Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:28822-58-4)3-Isobutyl-1-methylxanthine
Order Number:1635833
Stock Status:in Stock
Quantity:Company Customization
Purity:98%
Pricing Information Last Updated:Monday, 14 April 2025 21:49
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:28822-58-4)3-異丁基-1-甲基黃嘌呤
Order Number:LE1635833;LE9787
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:30
Price ($):discuss personally
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:28822-58-4)3-Isobutyl-1-methylxanthine
Order Number:A876607
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:50
Price ($):233.0
NewCan Biotech Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:28822-58-4)3-Isobutyl-1-methylxanthine
Order Number:NC11999
Stock Status:
Quantity:10g
Purity:97%
Pricing Information Last Updated:Friday, 18 July 2025 16:07
Price ($):Price inquiry

3-Isobutyl-1-methylxanthine Related Literature

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28822-58-4 (3-Isobutyl-1-methylxanthine) Related Products

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:28822-58-4)3-Isobutyl-1-methylxanthine
1635833
Purity:98%
Quantity:Company Customization
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:28822-58-4)3-異丁基-1-甲基黃嘌呤
LE1635833;LE9787
Purity:99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry
Email