Name: 2-[1-PIPERAZINYL]QUINOLINE MALEATE SALT
SKU: 5786-68-5

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Basic Information

Molecular Structure:
CAS No.:	5786-68-5
Name:	2-[1-PIPERAZINYL]QUINOLINE MALEATE SALT

Formula:	C₁₃H₁₅N₃•C₄H₄O₄
Molecular Weight:	329.356
Synonyms:	1-(2-quinolyl)piperazinemaleate;2-(1-piperazinyl)-quinolin(z)-2-butenedioate(1:1);2-(1-piperazinyl)quinoline(z)-2-butenedioate(1:1);2-(1-piperazinyl)-quinolinmaleate(1:1);ma1291;quipazinemeleate;2-(1-PIPERAZINYL)QUINOLINE DIMALEATE;2-[1-PIPERAZINYL]QUINOLINE MALEATE SALT
Density:	1.152g/cm³
Melting Point:	151-154℃
Boiling Point:	403.7°Cat760mmHg
Flash Point:	198°C
Hazard Symbols:	Xn
Risk Codes:	R22
Safety:	Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NO_x.
PSA:	102.76000
LogP:	1.75000

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Chemistry

Molecule structure of Quipazine maleate (CAS NO.5786-68-5):

IUPAC Name: (Z)-But-2-enedioic acid; 2-piperazin-1-ylquinoline
Molecular Weight: 329.35046 g/mol
Molecular Formula: C₁₇H₁₉N₃O₄
Boiling Point: 624.4 °C at 760 mmHg
Flash Point: 331.4 °C
Enthalpy of Vaporization: 97.2 kJ/mol
Vapour Pressure: 1.87E-16 mmHg at 25 °C
Storage Temp.: 2-8 °C
H-Bond Donor: 3
H-Bond Acceptor: 7
Rotatable Bond Count: 3
Exact Mass: 329.137556
MonoIsotopic Mass: 329.137556
Topological Polar Surface Area: 103
Heavy Atom Count: 24
Complexity: 344
Canonical SMILES: C1CN(CCN1)C2=NC3=CC=CC=C3C=C2.C(=CC(=O)O)C(=O)O
Isomeric SMILES: C1CN(CCN1)C2=NC3=CC=CC=C3C=C2.C(=C\C(=O)O)\C(=O)O
InChI: InChI=1S/C13H15N3.C4H4O4/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16;5-3(6)1-2-4(7)8/h1-6,14H,7-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey: QYJJDHZHSCTBII-BTJKTKAUSA-N
EINECS of Quipazine maleate (CAS NO.5786-68-5): 227-314-2

Toxicity Data With Reference

1.	orl-mus LD50:225 mg/kg	FATOAO Farmakologiya i Toksikologiya (Moscow). 43 (5)(1980),530.
2.	ipr-mus LD50:102 mg/kg	FATOAO Farmakologiya i Toksikologiya (Moscow). 43 (5)(1980),530.
3.	ivn-mus LD50:75 mg/kg	FATOAO Farmakologiya i Toksikologiya (Moscow). 43 (5)(1980),530.

Safety Profile

Hazard Codes: Harmful Xn
Risk Statements: 22
R22:Harmful if swallowed.
RIDADR: UN 2811 6.1/PG 3
RTECS: VC2515000
Poison by ingestion, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NO_x.

Specification

Quipazine maleate (CAS NO.5786-68-5) is also named as 1-(2-Quinolyl)piperazine maleate ; 2-(1-Piperazinyl)quinoline (Z)-2-butenedioate (1:1) ; 2-(1-Piperazinyl)quinoline maleate (1:1) ; MA 1291 ; UNII-JY444CK9IG ; 2-(1-Piperazinyl)quinoline maleate ; Quinoline, 2-(1-piperazinyl)-, (Z)-2-butenedioate (1:1) ; Quinoline, 2-(1-piperazinyl)-, maleate (1:1) .