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7-(2-Chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

7-(2-Chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione structure

CAS No:
1919-38-6
Formula:
C10H13ClN4O2
Chemical Name:
7-(2-Chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
Synonyms:
1H-Purine-2,6-dione,7-(2-chloropropyl)-3,7-dihydro-1,3-dimethyl-;Theophylline,7-(2-chloropropyl)-;7-(2-Chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione;137138-19-3

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7-(2-Chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

256.68882

Exact Mass：

256.69

EC Number：

217-641-9

Characteristics

PSA：

58.4

XLogP3：

0.5

Density：

1.46g/cm3

Melting Point：

151-152 °C

Boiling Point：

456.5ºC at 760 mmHg

Flash Point：

229.9ºC

Refractive Index：

1.654

Vapor Pressure：

1.61E-08mmHg at 25°C

Computed Properties

Molecular Weight:256.69
XLogP3:0.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:256.0727034
Monoisotopic Mass:256.0727034
Topological Polar Surface Area:58.4
Heavy Atom Count:17
Complexity:351
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-(2-Chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

7-(2-Chloropropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

SDS

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