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| Name |
Ocaphane |
EINECS | N/A |
| CAS No. | 2185-98-0 | Density | g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H20Cl2N2O2•2ClH | Boiling Point | 394.6°Cat760mmHg |
| Molecular Weight | 392.18 | Flash Point | 192.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. Human blood effects by intravenous route. When heated to decomposition it emits very toxic fumes of HCl, NOx, and Cl−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Ocaphane;Phenylalanine,2-[[bis(2-chloroethyl)amino]- methyl]-,dihydrochloride;AT 581;o-BIS(2-CHLOROETHYL)AMINO METHYL PHENYLALANINE HYDROCHLORIDE;3-(o-((BIS(2-CHLOROETHYL)AMINO)METHYL)PHENYL)ALANINE DIHYDROCHLORIDE;2-((BIS(2-CHLOROETHYL)AMINO)METHYL)-PHENYLALANINE DIHYDROCHLORIDE (9CI); |
Ocaphane Chemical Properties
IUPAC name: [2-(2-Azaniumyl-3-hydroxy-3-oxopropyl)phenyl]methyl-bis(2-chloroethyl)azanium dichloride
Molecular Formula: C14H22Cl4N2O2
Molecular Weight: 392.148680 g/mol
Canonical SMILES: C1=CC=C(C(=C1)CC(C(=O)O)[NH3+])C[NH+](CCCl)CCCl.[Cl-].[Cl-]
InChI: InChI=1S/C14H20Cl2N2O2.2ClH/c15-5-7-18(8-6-16)10-12-4-2-1-3-11(12)9-13(17)14(19)20;/h1-4,13H,5-10,17H2,(H,19,20);2*1H
Flash Point: 192.4 °C
Enthalpy of Vaporization: 67.98 kJ/mol
Boiling Point: 394.6 °C at 760 mmHg
Vapour Pressure: 6.2E-07 mmHg at 25 °C
Following is the structure of Ocaphane (CAS NO.2185-98-0):
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Ocaphane Toxicity Data With Reference
| 1. | ivn-hmn TDLo:2 mg/kg/10 D-I:BLD | XPHPAW U.S. Public Health Service Publication. 441 (1974),186. | ||
| 2. | ipr-mus LD50:5900 µg/kg | SSINAV Scientia Sinica. 13 (1964),789. |
Ocaphane Safety Profile
Poison by intraperitoneal route. Human blood effects by intravenous route. When heated to decomposition, Ocaphane (CAS NO.2185-98-0) emits very toxic fumes of HCl, NOx, and Cl−.
Ocaphane Specification
Ocaphane , its cas register number is 2185-98-0. It also can be called o-Bis(2-chloroethyl aminomethylphenylalanine hydrochloride ; AT-581 ; and 3-(o-((Bis(2-chloroethyl)amino)methyl)phenyl)alanine dihydrochloride . And its classification code is Drug / Therapeutic Agent.
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