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| Name |
Neoantergan phosphate |
EINECS | N/A |
| CAS No. | 63681-05-0 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C17H23N3O•H3O4P | Boiling Point | 423.8°Cat760mmHg |
| Molecular Weight | 383.43 | Flash Point | 210.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits very toxic fumes of POx and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Neoantergan phosphate Chemical Properties
Molecule structure of Neoantergan phosphate (CAS NO.63681-05-0):
IUPAC Name: N-[(4-Methoxyphenyl)methyl]-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine; phosphoric acid
Molecular Weight: 383.379201 g/mol
Molecular Formula: C17H26N3O5P
Boiling Point: 423.8 °C at 760 mmHg
Flash Point: 210.1 °C
Enthalpy of Vaporization: 67.82 kJ/mol
Vapour Pressure: 2.17E-07 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 8
Rotatable Bond Count: 7
Exact Mass: 383.161007
MonoIsotopic Mass: 383.161007
Topological Polar Surface Area: 106
Heavy Atom Count: 26
Complexity: 327
Canonical SMILES: CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2.OP(=O)(O)O
InChI: InChI=1S/C17H23N3O.H3O4P/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15;1-5(2,3)4/h4-11H,12-14H2,1-3H3;(H3,1,2,3,4)
InChIKey of Neoantergan phosphate (CAS NO.63681-05-0): GDOTWPAJJGIXFK-UHFFFAOYSA-N
Neoantergan phosphate Toxicity Data With Reference
| 1. | ipr-mus LD50:90 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 89 (1947),247. | ||
| 2. | scu-mus LD50:150 mg/kg | PHREA7 Physiological Reviews. 27 (1947),542. | ||
| 3. | ivn-mus LD50:30 mg/kg | PHREA7 Physiological Reviews. 27 (1947),542. | ||
| 4. | scu-gpg LD50:70 mg/kg | PHREA7 Physiological Reviews. 27 (1947),542. |
Neoantergan phosphate Safety Profile
Poison by intravenous, intraperitoneal, and subcutaneous routes. When heated to decomposition it emits very toxic fumes of POx and NOx.
Neoantergan phosphate Specification
Neoantergan phosphate (CAS NO.63681-05-0) is also named as 2786 R.P. phosphate ; N-alpha-Pyridyl-N-p-methoxybenzyl-N',N'-dimethylethylenediamine phosphate ; N-p-Methoxybenzyl-N-dimethylaminoethyl alpha-aminopyridine
Pyridine, 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)-, phosphate .
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