Cas no 1143-30-2 (1H-Purine-2,6-dione,1-butyl-3,7-dihydro-3,7-dimethyl-)
1143-30-2 structure
Product Name:1H-Purine-2,6-dione,1-butyl-3,7-dihydro-3,7-dimethyl-
CAS No:1143-30-2
MF:C11H16N4O2
MW:236.270341873169
CID:141899
PubChem ID:70835
Update Time:2025-04-19
1H-Purine-2,6-dione,1-butyl-3,7-dihydro-3,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Purine-2,6-dione,1-butyl-3,7-dihydro-3,7-dimethyl-
- 1-butyl-3,7-dimethylpurine-2,6-dione
- 1-N-BUTYL-3,7-DIMETHYLXANTHINE
- 1-butyl-3,7-dimethyl-1H-purine-2,6-(2H,6H)-dione
- 1-Butyl-3,7-dimethyl-3,7-dihydro-purin-2,6-dion
- 1-butyl-3,7-dimethyl-3,7-dihydro-purine-2,6-dione
- 1-butyl-3,7-dimethylxanthine
- 1-Butyltheobromine
- AC1L2EYV
- BRN 0026680
- CTK4A8690
- NSC3111
- SureCN516018
- Theobromine, 1-butyl-
- 1H-Purine-2, 1-butyl-3,7-dihydro-3,7-dimethyl-
- n-Butyltheobromin
- UNII-AMU665LKFR
- NSC_70835
- Q27274005
- NSC-3111
- 1143-30-2
- WLN: T56 BN DN FNVNVJ B1 F1 H4
- 1H-Purine-2,6-dione, 1-butyl-3,7-dihydro-3,7-dimethyl-
- AMU665LKFR
- NSC 3111
- 4-26-00-02348 (Beilstein Handbook Reference)
- SCHEMBL516018
- PD094027
- BDBM82046
- CAS_70835
- DTXSID60150691
-
- Inchi： 1S/C11H16N4O2/c1-4-5-6-15-10(16)8-9(12-7-13(8)2)14(3)11(15)17/h7H,4-6H2,1-3H3
- InChI Key： ZCUPBJOZMPROIJ-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=CN2C)N(C)C(N1CCCC)=O
Computed Properties
- Exact Mass: 236.12748
- Monoisotopic Mass: 236.127
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 333
- 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: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 58.4A^2
Experimental Properties
- Density: 1.1670 (rough estimate)
- Melting Point: 108°C
- Boiling Point: 378.74°C (rough estimate)
- Flash Point: 216.6°C
- Refractive Index: 1.6081 (estimate)
- PSA: 58.44
- LogP: 0.23380
1H-Purine-2,6-dione,1-butyl-3,7-dihydro-3,7-dimethyl- Related Literature
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
1143-30-2 (1H-Purine-2,6-dione,1-butyl-3,7-dihydro-3,7-dimethyl-) Related Products
- 83-67-0(Theobromine)
- 31542-63-9(1,3-Dipropyl-7-methylxanthine)
- 6493-05-6(Pentoxifylline)
- 1028-33-7(1-N-Hexyltheobromine)
- 552-62-5(7-Methyl Xanthine)
- 188297-90-7(Paraxanthine-1-methyl-d3)
- 832-66-6(1,3,7,8-Tetramethylzanthine)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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