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
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. |
Hazard Codes: 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 NOx.
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) .
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