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1,3,7-trimethyl-8-propan-2-ylpurine-2,6-dione

1,3,7-trimethyl-8-propan-2-ylpurine-2,6-dione structure

CAS No:
3279-79-6
Formula:
C11H16N4O2
Chemical Name:
1,3,7-trimethyl-8-propan-2-ylpurine-2,6-dione
Synonyms:
MLS000737231;3279-79-6;1,3,7-trimethyl-8-(propan-2-yl)-3,7-dihydro-1h-purine-2,6-dione;8-isopropylcaffeine;1,3,7-trimethyl-8-propan-2-ylpurine-2,6-dione;NSC101809;NCIOpen2_006957;CHEMBL1498670;SCHEMBL19969558;DTXSID20295416;HMS2886N03;ZINC13152249;NSC-101809;SMR000528473;DS-008290;1,3,7-trimethyl-8-propan-2-yl-purine-2,6-dione;8-Isopropyl-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

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1,3,7-trimethyl-8-propan-2-ylpurine-2,6-dione Basic Attributes

Molecular Weight：

236.27 g/mol

Exact Mass：

236.12732577 g/mol

NSC Number：

101809

DSSTox ID：

DTXSID20295416

Characteristics

PSA：

58.4 Å²

Computed Properties

Molecular Weight:236.27
XLogP3:1.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:236.12732577
Monoisotopic Mass:236.12732577
Topological Polar Surface Area:58.4
Heavy Atom Count:17
Complexity:357
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3,7-trimethyl-8-propan-2-ylpurine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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