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1,3-dimethyl-7-[2-(propan-2-ylamino)propyl]purine-2,6-dione,hydrochloride

1,3-dimethyl-7-[2-(propan-2-ylamino)propyl]purine-2,6-dione,hydrochloride structure

CAS No:
27524-97-6
Formula:
C13H22ClN5O2
Chemical Name:
1,3-dimethyl-7-[2-(propan-2-ylamino)propyl]purine-2,6-dione,hydrochloride
Synonyms:
1,3-dimethyl-7-[2-(propan-2-ylamino)propyl]-3,7-dihydro-1h-purine-2,6-dione hydrochloride(1:1); Theophylline,7-(2-(isopropylamino)propyl)-,monohydrochloride; IPT [German]; 7-(2-Isopropylamino-propyl)-1,3-dimethyl-3,7-dihydro-purin-2,6-dion,Hydrochlorid; 7-(Isopropylaminoisopropyl)theophylline hydrochloride; 7-(2-Isopropylamino-2-methylethyl)theophylline hydrochloride; 7-(2-isopropylamino-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione,hydrochloride;Expand

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1,3-dimethyl-7-[2-(propan-2-ylamino)propyl]purine-2,6-dione,hydrochloride Basic Attributes

Molecular Weight：

315.79900

Exact Mass：

315.1462027 g/mol

Characteristics

PSA：

73.85000

XLogP3：

1.01310

Boiling Point：

471ºC

Flash Point：

238.1ºC

Vapor Pressure：

5.19E-09mmHg at 25°C

Computed Properties

Molecular Weight:315.80
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:315.1462027
Monoisotopic Mass:315.1462027
Topological Polar Surface Area:70.5
Heavy Atom Count:21
Complexity:400
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Hot Searches: nateglinide; phenylmagnesium bromide; phosphorus trichloride; hydrogenated castor oil; tetrafluoroethylene; lactose monohydrate

Guide of 1,3-dimethyl-7-[2-(propan-2-ylamino)propyl]purine-2,6-dione,hydrochloride

Basic Attributes
Characteristics
Computed Properties

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