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| CAS No.: | 15387-10-7 |
|---|---|
| Name: | Niprofazone |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C21H25 N5 O2 |
| Molecular Weight: | 379.462 |
| Synonyms: | Nicotinamide,N-[(antipyrinylisopropylamino)methyl]- (8CI);1-Phenyl-2,3-dimethyl-4-(N-nicotinamidomethyl-N-isopropyl)amino-5-pyrazolone;Niprofazone; Ra 101; Ra 101 (pharmaceutical) |
| Density: | 1.25g/cm3 |
| Melting Point: | 165.5°C |
| Boiling Point: | °Cat760mmHg |
| Flash Point: | °C |
| Safety: | Poison by intraperitoneal route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 72.16000 |
| LogP: | 2.87260 |
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Chemistry
Molecule structure of N-((Antipyrinylisopropylamino)methyl)nicotinamide (CAS NO.15387-10-7):
IUPAC Name: N-[[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-propan-2-ylamino]methyl]pyridine-3-carboxamide
Molecular Weight: 379.4555 g/mol
Molecular Formula: C21H25N5O2
Density: 1.25 g/cm3
Index of Refraction: 1.638
Molar Refractivity: 108.48 cm3
Molar Volume: 301.7 cm3
Polarizability: 43×10-24 cm3
Surface Tension: 59.9 dyne/cm
XLogP3: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 5
Rotatable Bond Count: 6
Tautomer Count: 2
Exact Mass: 379.200825
MonoIsotopic Mass: 379.200825
Topological Polar Surface Area: 68.8
Heavy Atom Count: 28
Complexity: 612
Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(CNC(=O)C3=CN=CC=C3)C(C)C
InChI: InChI=1S/C21H25N5O2/c1-15(2)25(14-23-20(27)17-9-8-12-22-13-17)19-16(3)24(4)26(21(19)28)18-10-6-5-7-11-18/h5-13,15H,14H2,1-4H3,(H,23,27)
InChIKey: MZQAQBDIKUFBSF-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | ipr-rat LD50:400 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 20 (1970),1024. | ||
| 2. | orl-mus LD50:1460 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 20 (1970),1024. | ||
| 3. | ipr-mus LD50:1060 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 20 (1970),1024. | ||
| 4. | ipr-ham LD50:853 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 20 (1970),1024. |
Safety Profile
Poison by intraperitoneal route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Specification
N-((Antipyrinylisopropylamino)methyl)nicotinamide (CAS NO.15387-10-7) is also named as 1-Phenyl-2,3-dimethyl-4(N-nicotinamidomethyl-N-isopropyl)amino-5-pyrazolone ; 5-25-14-00124 (Beilstein Handbook Reference) ; 5-Pyrazolone, 1-phenyl-2,3-dimethyl-4-(N-nicotinamidomethyl-N-isopropyl)amino- ; BRN 0766712 ; N-(((2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)(1-methylethyl)amino)methyl)-3-pyridinecarboxamide ; N-(N-(2,5-Dihydro-2,3-dimethyl-5-oxo-1-phenyl-4-pyrazolyl)- ; N-isopropylaminomethyl)nicotinamid ; Nicotinamidomethylaminopyrazolone ; Niprofazona ; Niprofazona [INN-Spanish] ; Niprofazone ; Niprofazonum ; Niprofazonum [INN-Latin] ; RA 101 ; Ra 101 (pharmaceutical) ; UNII-0A995E1KA6 . N-((Antipyrinylisopropylamino)methyl)nicotinamide (CAS NO.15387-10-7) is toxic. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry.