-
Name
NIFURPIPONE ACETATE
- EINECS
- CAS No. 51799-29-2
- Density
- Solubility
- Melting Point
- Formula C12H17N5O4•C2H4O2
- Boiling Point
- Molecular Weight 355.40
- Flash Point
- Transport Information
- Appearance
- Safety Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
Nifurpipone acetate Chemical Properties
Molecule structure of Nifurpipone acetate (CAS NO.51799-29-2):
IUPAC Name: Acetic acid; 2-(4-methylpiperazin-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino] acetamide
Molecular Weight: 355.34644 g/mol
Molecular Formula: C14H21N5O6
Boiling Point: 542.8 °C at 760 mmHg
Flash Point: 282 °C
Enthalpy of Vaporization: 86.4 kJ/mol
Vapour Pressure: 1.3E-12 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 9
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 355.149183
MonoIsotopic Mass: 355.149183
Topological Polar Surface Area: 142
Heavy Atom Count: 25
Complexity: 434
Canonical SMILES: CC(=O)O.CN1CCN(CC1)CC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-]
Isomeric SMILES: CC(=O)O.CN1CCN(CC1)CC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI: InChI=1S/C12H17N5O4.C2H4O2/c1-15-4-6-16(7-5-15)9-11(18)14-13-8-10-2-3-12(21-10)17(19)20;1-2(3)4/h2-3,8H,4-7,9H2,1H3,(H,14,18);1H3,(H,3,4)/b13-8+;
InChIKey of Nifurpipone acetate (CAS NO.51799-29-2): FUFPEEYFYAAKCK-FNXZNAJJSA-N
Nifurpipone acetate Toxicity Data With Reference
| 1. | orl-rat LD50:833 mg/kg | BCFAAI Bollettino Chimico Farmaceutico. 114 (1975),73. | ||
| 2. | orl-mus LD50:1125 mg/kg | BCFAAI Bollettino Chimico Farmaceutico. 114 (1975),73. | ||
| 3. | ipr-mus LD50:228 mg/kg | BCFAAI Bollettino Chimico Farmaceutico. 114 (1975),73. | ||
| 4. | scu-mus LD50:288 mg/kg | BCFAAI Bollettino Chimico Farmaceutico. 114 (1975),73. | ||
| 5. | ivn-mus LD50:295 mg/kg | BCFAAI Bollettino Chimico Farmaceutico. 114 (1975),73. | ||
| 6. | orl-rbt LD50:400 mg/kg | BCFAAI Bollettino Chimico Farmaceutico. 114 (1975),73. | ||
| 7. | ivn-rbt LD50:127 mg/kg | BCFAAI Bollettino Chimico Farmaceutico. 114 (1975),73. |
Nifurpipone acetate Safety Profile
Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Nifurpipone acetate Specification
Nifurpipone acetate (CAS NO.51799-29-2) is also named as 1-Piperazineacetic acid, 4-methyl-, ((5-nitro-2-furanyl)methylene)hydrazide, acetate ; 4-Methyl-1-piperazineacetic acid (5-nitrofurfurylidene)hydrazide acetate .
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