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1,3-dimethyl-7-[2-(N-propan-2-ylanilino)ethyl]purine-2,6-dione,hydrochloride

1,3-dimethyl-7-[2-(N-propan-2-ylanilino)ethyl]purine-2,6-dione,hydrochloride structure

CAS No:
78280-45-2
Formula:
C18H24ClN5O2
Chemical Name:
1,3-dimethyl-7-[2-(N-propan-2-ylanilino)ethyl]purine-2,6-dione,hydrochloride
Synonyms:
H 814; 1,3-dimethyl-7-[2-(N-propan-2-ylanilino)ethyl]purine-2,6-dione hydrochloride; Theophylline,7-(2-(isopropyl-phenylamino)ethyl),hydrochloride; H 814 [German]; 7-(2-(Isopropyl-phenylamino)ethyl)theophylline hydrochloride;

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1,3-dimethyl-7-[2-(N-propan-2-ylanilino)ethyl]purine-2,6-dione,hydrochloride Basic Attributes

Molecular Weight：

377.86800

Exact Mass：

377.1618527

DSSTox ID：

DTXSID10228955

Characteristics

PSA：

65.06000

XLogP3：

2.15070

Boiling Point：

551.5ºC at 760 mmHg

Flash Point：

287.4ºC

Computed Properties

Molecular Weight:377.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:377.1618527
Monoisotopic Mass:377.1618527
Topological Polar Surface Area:61.7
Heavy Atom Count:26
Complexity:506
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 1,3-dimethyl-7-[2-(N-propan-2-ylanilino)ethyl]purine-2,6-dione,hydrochloride

Basic Attributes
Characteristics
Computed Properties

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