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3,7-Dihydro-3,7-dimethyl-1-isopentyl-1H-purine-2,6-dione

3,7-Dihydro-3,7-dimethyl-1-isopentyl-1H-purine-2,6-dione structure

CAS No:
1024-65-3
Formula:
C12H18N4O2
Chemical Name:
3,7-Dihydro-3,7-dimethyl-1-isopentyl-1H-purine-2,6-dione
Synonyms:
1-Isoamyltheobromine;1-Isopentyltheobromine;1-Isoamyl-3,7-dimethylxanthine;1-Isopentyl-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione;3,7-Dihydro-3,7-dimethyl-1-isopentyl-1H-purine-2,6-dione

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3,7-Dihydro-3,7-dimethyl-1-isopentyl-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

250.302

Exact Mass：

250.143

UNII：

63US8C0W8J

NSC Number：

3112

DSSTox ID：

DTXSID00145041

Characteristics

PSA：

58.4

XLogP3：

1.6

Density：

1.1349 (rough estimate)

Boiling Point：

393.43°C (rough estimate)

Flash Point：

217.6ºC

Refractive Index：

1.6120 (estimate)

Vapor Pressure：

8.29E-08mmHg at 25°C

Computed Properties

Molecular Weight:250.30
XLogP3:1.6
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:250.14297583
Monoisotopic Mass:250.14297583
Topological Polar Surface Area:58.4
Heavy Atom Count:18
Complexity:358
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,7-Dihydro-3,7-dimethyl-1-isopentyl-1H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

3,7-Dihydro-3,7-dimethyl-1-isopentyl-1H-purine-2,6-dione

SDS

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