Cas no 519-32-4 (Isocaffeine)
Isocaffeine structure
Product Name:Isocaffeine
CAS No:519-32-4
MF:C8H10N4O2
MW:194.19060087204
MDL:MFCD00022834
CID:369589
PubChem ID:1326
Update Time:2025-08-02
Isocaffeine Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6-dione,3,9-dihydro-1,3,9-trimethyl-
- 1,3,9-trimethylpurine-2,6-dione
- 1,3,9-TRIMETHYLXANTHINE
- Isocaffeine
- Isocaffeine (1,3,9-Trimethylxanthine)
- Isocaffeine（1,3,9-Trimethylxanthine）
- 1,3,9-Trimethyl-3,9-dihydro-purin-2,6-dion
- 1,3,9-trimethyl-3,9-dihydro-purine-2,6-dione
- 1,9-Trimethylxanthine
- 2,6-Dihydroxy-1,3,9-trimethylpurine
- ISOCAFFIENE
- 1,3,9-TRIMETHYL-3,9-DIHYDRO -1H-PURINE-2,6-DIONE
- LPHGQDQBBGAPDZ-UHFFFAOYSA-N
- NSC28332
- CAFFEINE IMPURITY C [EP IMPURITY]
- EN300-8589303
- 1,3,9-trimethyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
- NSC 28332
- BDBM50291815
- CHEMBL74063
- 519-32-4
- DTXSID70199859
- Caffeine Imp. C (EP); 1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione; Isocaffeine; Caffeine Impurity C
- MLS002639222
- Isocoffein
- 1,3,9-trimethyl-1H-purine-2,6(3H,9H)-dione
- CAFFEINE MONOHYDRATE IMPURITY C [EP IMPURITY]
- Caffeine Impurity C (Isocaffeine)
- PDSP2_000323
- 1H-Purine-2,6-dione, 3,9-dihydro-1,3,9-trimethyl-
- E75853
- Q1674397
- 1,3,9-Trimethylxanthine, >=98% (HPLC), solid
- 1,3,9-trimethyl-3,9-dihydro-1H-purine-2,6-dione
- 3,9-Dihydro-1,3,9-trimethyl-1H-purine-2,6-dione
- PDSP1_000325
- Caffeine Impurity C
- MFCD00022834
- 1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione (Isocaffeine)
- 1,3,9-TRIMETHYL-3,9-DIHYDRO -1H-PURINE-2,6-DIONE (Caffeine Impurity C), Pharmaceutical Secondary Standard; Certified Reference Material
- SCHEMBL515995
- W-202958
- UNII-N4HG7T2QGW
- SMR001548669
- N4HG7T2QGW
- HMS3079B15
- AKOS006274028
- 9-METHYLTHEOPHYLLINE
- NSC-28332
- 1H-Purine-2, 3,9-dihydro-1,3,9-trimethyl-
- Z1198147847
- NS00007739
- EINECS 208-267-7
- FT-0632273
- DB-052048
- HS-3118
- STL416212
-
- MDL： MFCD00022834
- Inchi： 1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3
- InChI Key： LPHGQDQBBGAPDZ-UHFFFAOYSA-N
- SMILES： O=C1N(C)C(C2=C(N(C)C=N2)N1C)=O
Computed Properties
- Exact Mass: 194.08000
- Monoisotopic Mass: 194.08
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 293
- 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
- Topological Polar Surface Area: 58.4A^2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
Experimental Properties
- Color/Form: Not determined
- Density: 1.45
- Melting Point: 288-290°C (dec.)
- Boiling Point: 416.8 °C at 760 mmHg
- Flash Point: 205.9 °C
- Refractive Index: 1.679
- Solubility: H2O: >20mg/mL
- PSA: 61.82000
- LogP: -1.02930
- Solubility: Not determined
- Vapor Pressure: 0.0±1.0 mmHg at 25°C
Isocaffeine Security Information
- Hazard Statement： CAUTION: May irritate eyes, skin
- Hazardous Material transportation number：NONH for all modes of transport
- WGK Germany：3
- Safety Instruction： CAUT
- FLUKA BRAND F CODES：10-23
- Storage Condition：room temperature
Isocaffeine Customs Data
- HS CODE：2933990090
- Customs Data：
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Isocaffeine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD135092-100mg |
1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione |
519-32-4 | 97% | 100mg |
￥4930.0 | 2024-04-18 | |
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD135092-250mg |
1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione |
519-32-4 | 97% | 250mg |
￥3292.0 | 2022-02-28 | |
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD135092-1g |
1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione |
519-32-4 | 97% | 1g |
￥8232.0 | 2022-02-28 | |
| Ambeed | A300603-100mg |
1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione |
519-32-4 | 97% | 100mg |
$1022.0 | 2025-02-27 | |
| Ambeed | A300603-250mg |
1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione |
519-32-4 | 97% | 250mg |
$434.00 | 2022-03-29 | |
| Ambeed | A300603-1g |
1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione |
519-32-4 | 97% | 1g |
$1200.00 | 2022-03-29 | |
| Chemenu | CM241009-250mg |
1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione |
519-32-4 | 97% | 250mg |
$*** | 2023-05-30 | |
| Chemenu | CM241009-1g |
1,3,9-Trimethyl-3,9-dihydro-1H-purine-2,6-dione |
519-32-4 | 97% | 1g |
$*** | 2023-05-30 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-VC971-200mg |
Isocaffeine |
519-32-4 | 97% | 200mg |
2966.0CNY | 2021-07-14 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-VC971-50mg |
Isocaffeine |
519-32-4 | 97% | 50mg |
1186.0CNY | 2021-07-14 |
Isocaffeine Related Literature
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
519-32-4 (Isocaffeine) Related Products
- 1185879-03-1(3,7-Dihydro-3,7-di(methyl-d3)-1-(5-oxohexyl)-1H-purine-2,6-dione)
- 797028-11-6(7-(2-methoxyethyl)-1,3-dimethyl-8-(4-methylpiperazin-1-yl)methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione)
- 851941-64-5(8-(3,5-dimethylpiperidin-1-yl)methyl-1,3-dimethyl-7-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione)
- 851941-59-8(1,3-dimethyl-7-(2-methylpropyl)-8-(piperidin-1-yl)methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione)
- 797028-16-1(7-(2-methoxyethyl)-1,3-dimethyl-8-(piperidin-1-yl)methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione)
- 23146-07-8(1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(oxiranylmethyl)-)
- 851940-83-5(2-{8-(4-ethylpiperazin-1-yl)methyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl}acetamide)
- 851937-40-1(7-ethyl-8-(2-ethylpiperidin-1-yl)methyl-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione)
- 578697-67-3(7-(3-hydroxypropyl)-1,3-dimethyl-8-(piperidin-1-yl)methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
Recommended suppliers
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
