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Name	7-(Isopropylaminoisopropyl)theophylline hydrochloride	EINECS	N/A
CAS No.	27524-97-6	Density	N/A
PSA	N/A	LogP	N/A
Solubility	N/A	Melting Point	N/A
Formula	C13H21 N5 O2 . Cl H	Boiling Point	470.1°C at 760 mmHg
Molecular Weight	315.85	Flash Point	238.1°C
Transport Information	N/A	Appearance	N/A
Safety	Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NO_x and HCl.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Theophylline,7-(2-isopropylaminopropyl)-, hydrochloride (6CI); Theophylline,7-[2-(isopropylamino)propyl]-, monohydrochloride (8CI)

7-(Isopropylaminoisopropyl)theophylline hydrochloride Chemical Properties

IUPAC Name: 1,3-Dimethyl-7-[2-(propan-2-ylamino)propyl]purine-2,6-dione hydrochloride
Synonyms of 7-(Isopropylaminoisopropyl)theophylline hydrochloride (CAS NO.27524-97-6): 7-(2-Isopropylamino-2-methylethyl)theophylline hydrochloride ; Theophylline, 7-(2-(isopropylamino)propyl)-, monohydrochloride
CAS NO: 27524-97-6
Molecular Formula: C₁₃H₂₂ClN₅O₂
Molecular Weight: 315.7991
Molecular Structure :
H bond acceptors: 7
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 61.68 Å²
Flash Point: 238.1 °C
Enthalpy of Vaporization: 73.26 kJ/mol
Boiling Point: 470.1 °C at 760 mmHg
Vapour Pressure: 5.19E-09 mmHg at 25°C
InChI: InChI=1/C13H21N5O2.ClH/c1-8(2)15-9(3)6-18-7-14-11-10(18)12(19)17(5)13(20)16(11)4;/h7-9,15H,6H2,1-5H3;1H
InChIKey: VNYSLBGVCMFBKG-UHFFFAOYAK
Std. InChI: InChI=1S/C13H21N5O2.ClH/c1-8(2)15-9(3)6-18-7-14-11-10(18)12(19)17(5)13(20)16(11)4;/h7-9,15H,6H2,1-5H3;1H
Std. InChIKey: VNYSLBGVCMFBKG-UHFFFAOYSA-N

7-(Isopropylaminoisopropyl)theophylline hydrochloride Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
guinea pig	LD50	oral	428mg/kg (428mg/kg)	Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 194, 1957.
guinea pig	LD50	subcutaneous	376mg/kg (376mg/kg)	Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 194, 1957.
mouse	LD50	intravenous	361mg/kg (361mg/kg)	Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 194, 1957.
mouse	LD50	oral	973mg/kg (973mg/kg)	Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 194, 1957.
mouse	LD50	subcutaneous	693mg/kg (693mg/kg)	Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 194, 1957.
rabbit	LD50	intravenous	215mg/kg (215mg/kg)	Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 194, 1957.
rat	LD50	intraperitoneal	573mg/kg (573mg/kg)	Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 194, 1957.
rat	LD50	intravenous	347mg/kg (347mg/kg)	Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 194, 1957.
rat	LD50	oral	4200mg/kg (4200mg/kg)	Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 194, 1957.
rat	LD50	subcutaneous	879mg/kg (879mg/kg)	Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 230, Pg. 194, 1957.

7-(Isopropylaminoisopropyl)theophylline hydrochloride Safety Profile

Poison by subcutaneous, intravenous, and intraperitoneal routes. Moderately toxic by ingestion. When 7-(Isopropylaminoisopropyl)theophylline hydrochloride (CAS NO.27524-97-6) is heated to decomposition, it emits toxic fumes of NO_x and HCl.

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