Desoxypeganine hydrochloride supplier

Name
DESOXYPEGANINE HYDROCHLORIDE
EINECS
CAS No. 61939-05-7
Density
Solubility
Melting Point 260 °C
Formula C₁₁H₁₂N₂^.HCl
Boiling Point 311.6 °C at 760 mmHg
Molecular Weight 208.691
Flash Point 142.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrrolo[2,1-b]quinazoline,1,2,3,9-tetrahydro-, monohydrochloride (9CI);Deoxypeganine hydrochloride;Desoxypeganine hydrochloride;
PSA 15.60000
LogP 2.50150

Desoxypeganine hydrochloride Specification

The CAS register number of Desoxypeganine hydrochloride is 61939-05-7. It also can be called as Pyrrolo(2,1-b)quinazoline, 1,2,3,9-tetrahydro-, monohydrochloride and the IUPAC name about this chemical is 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline hydrochloride. The molecular formula about this chemical is C₁₁H₁₂N₂^.HCl and molecular weight is 208.69. It belongs to the Alkaloids.

Physical properties about Desoxypeganine hydrochloride are: (1)ACD/LogP: 0.16; (2)ACD/LogD (pH 5.5): -1.83; (3)ACD/LogD (pH 7.4): -1.67; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)Polar Surface Area: 15.6Å²; (10)Flash Point: 142.3 °C; (11)Enthalpy of Vaporization: 55.26 kJ/mol; (12)Boiling Point: 311.6 °C at 760 mmHg; (13)Vapour Pressure: 0.000556 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.N=2c1c(cccc1)CN3C=2CCC3
(2)InChI: InChI=1/C11H12N2.ClH/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10;/h1-2,4-5H,3,6-8H2;1H
(3)InChIKey: KTCXMTWSISEJFZ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H12N2.ClH/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10;/h1-2,4-5H,3,6-8H2;1H
(5)Std. InChIKey: KTCXMTWSISEJFZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	56800ug/kg (56.8mg/kg)	Farmakologiya i Toksikologiya Vol. 49(3), Pg. 37, 1986.
mouse	LD50	intravenous	24600ug/kg (24.6mg/kg)	Farmakologiya i Toksikologiya Vol. 49(3), Pg. 37, 1986.
mouse	LD50	oral	96mg/kg (96mg/kg)	Farmakologiya i Toksikologiya Vol. 49(3), Pg. 37, 1986.

Product Name

DESOXYPEGANINE HYDROCHLORIDE

Desoxypeganine hydrochloride Specification

Related Products

Hot Products