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Araten phosphate

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Name

Araten phosphate

EINECS N/A
CAS No. 1446-17-9 Density g/cm3
PSA 115.73000 LogP 3.95500
Solubility N/A Melting Point N/A
Formula C18H26ClN3•H3O4P Boiling Point 460.6°Cat760mmHg
Molecular Weight 417.92 Flash Point 232.3°C
Transport Information N/A Appearance N/A
Safety Human poison by ingestion. Human systemic effects by ingestion: muscle weakness. A human teratogen. Human reproductive effects: termination of pregnancy; developmental abnormalities of the eye, ear, and musculoskeletal system; and effects on newborn and postnatal development. Moderately toxic to humans by ingestion with musculoskeletal effects. When heated to decomposition it emits very toxic fumes of Cl, NOx, and POx. Risk Codes N/A
Molecular Structure Molecular Structure of 1446-17-9 (Chloroquinine phosphate) Hazard Symbols N/A
Synonyms

Chloroquinine phosphate

 

Araten phosphate Chemical Properties

Molecule structure of Araten phosphate (CAS NO.1446-17-9):

IUPAC Name: 4-N-(7-Chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine; phosphoric acid 
Molecular Weight: 417.867321 g/mol
Molecular Formula: C18H29ClN3O4P
Boiling Point: 460.6 °C at 760 mmHg 
Flash Point: 232.3 °C
Enthalpy of Vaporization: 72.13 kJ/mol
Vapour Pressure: 1.15E-08 mmHg at 25 °C
H-Bond Donor: 4
H-Bond Acceptor: 7
Rotatable Bond Count: 8
Tautomer Count: 3
Exact Mass: 417.158421
MonoIsotopic Mass: 417.158421
Topological Polar Surface Area: 106
Heavy Atom Count: 27
Complexity: 359
Canonical SMILES: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O
InChI: InChI=1S/C18H26ClN3.H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);(H3,1,2,3,4)
InChIKey of Araten phosphate (CAS NO.1446-17-9): AEUAEICGCMSYCQ-UHFFFAOYSA-N

Araten phosphate Toxicity Data With Reference

1.    

orl-hmn LDLo:43 mg/kg

    JFSCAS    Journal of Forensic Sciences. 5 (1965),201.
2.    

orl-wmn TDLo:2740 mg/kg/39 W:CNS

    ARPAAQ    Archives of Pathology. 93 (1972),209.
3.    

orl-chd LDLo:38 mg/kg

    PEDIAU    Pediatrics. 27 (1961),95.

Araten phosphate Safety Profile

Human poison by ingestion. Human systemic effects by ingestion: muscle weakness. A human teratogen. Human reproductive effects: termination of pregnancy; developmental abnormalities of the eye, ear, and musculoskeletal system; and effects on newborn and postnatal development. Moderately toxic to humans by ingestion with musculoskeletal effects. When heated to decomposition it emits very toxic fumes of Cl, NOx, and POx.

Araten phosphate Specification

 Araten phosphate (CAS NO.1446-17-9) is also named as Chloroquine, phosphate ; Chloroquinine phosphate ; UNII-7FY24HE2G3 ; 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-, phosphate (1:1)- ; Quinoline, 7-chloro-4-((4-(diethylamino)-1-methylbutyl)amino)-, phosphate (1:1) .

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