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3,9-Dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-1H-purine-2,6-dione

3,9-Dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-1H-purine-2,6-dione structure

CAS No:
57000-13-2
Formula:
C14H15N5O2
Chemical Name:
3,9-Dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-1H-purine-2,6-dione
Synonyms:
1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-;1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-;Theophylline,8-benzylamino-;3,9-Dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-1H-purine-2,6-dione;8-(Benzylamino)theophylline;NSC 293946

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3,9-Dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-1H-purine-2,6-dione Basic Attributes

Molecular Weight：

285.30100

Exact Mass：

285.30

NSC Number：

293946

DSSTox ID：

DTXSID40205613

Characteristics

PSA：

84.71000

XLogP3：

0.64540

Density：

1.404g/cm3

Melting Point：

236-237 °C @ Solvent: Dimethylformamide

Boiling Point：

539.3ºC

Flash Point：

280ºC

Refractive Index：

1.685

Computed Properties

Molecular Weight:285.30
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:285.12257474
Monoisotopic Mass:285.12257474
Topological Polar Surface Area:81.3
Heavy Atom Count:21
Complexity:424
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,9-Dihydro-1,3-dimethyl-8-[(phenylmethyl)amino]-1H-purine-2,6-dione

Basic Attributes
Characteristics
Computed Properties

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