-
Name
[3-(3-aminopropylamino)-2-hydroxy-propyl]sulfanylphosphonic acid
- EINECS
- CAS No. 56643-49-3
- Density 1.427g/cm3
- Solubility
- Melting Point
- Formula C6H17 N2 O4 P S
- Boiling Point 520°Cat760mmHg
- Molecular Weight 244.252
- Flash Point 268.3°C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion and intraperitoneal routes. See also PHOSPHATES. When heated to decomposition it emits very toxic fumes of POx, NOx, and SOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms S-3-(3-Aminopropylamino)-2-hydroxypropyldihydrogen phosphorothioate; WR 142489
- PSA 25.36000
- LogP 3.99720
S-3-(ω-Aminopropylamino)-2-hydroxy propyl dihydrogen phosphoro-thioate Chemical Properties
IUPAC Name: [3-(3-Aminopropylamino)-2-hydroxypropyl]sulfanylphosphonic acid
Synonyms of S-3-(ω-Aminopropylamino)-2-hydroxy propyl dihydrogen phosphoro-thioate (CAS NO.56643-49-3) : S-3-(omega-Aminopropylamino)-2-hydroxypropyl dihydrogen phosphorothioate ; Phosphorothioic acid, S-(3-(3-aminopropylamino)-2-hydroxy)propyl ester
InChI: InChI=1/C6H17N2O4PS/c7-2-1-3-8-4-6(9)5-14-13(10,11)12/h6,8-9H,1-5,7H2,(H2,10,11,12)
CAS NO: 56643-49-3
Molecular Formula: C6H17N2O4PS
Molecular Weight : 244.2489
Molecular Structure: .png)
H bond acceptors: 6
H bond donors: 6
Freely Rotating Bonds: 10
Polar Surface Area: 86.35 Å2
Index of Refraction: 1.573
Molar Refractivity: 56.41 cm3
Molar Volume: 171 cm3
Surface Tension: 71.9 dyne/cm
Density: 1.427 g/cm3
Flash Point: 268.3 °C
Enthalpy of Vaporization: 91.25 kJ/mol
Boiling Point: 520 °C at 760 mmHg
Vapour Pressure: 5.47E-13 mmHg at 25°C
S-3-(ω-Aminopropylamino)-2-hydroxy propyl dihydrogen phosphoro-thioate Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 875mg/kg (875mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 803, 1975. | |
| mouse | LD50 | oral | 1200mg/kg (1200mg/kg) | Journal of Medicinal Chemistry. Vol. 18, Pg. 803, 1975. |
S-3-(ω-Aminopropylamino)-2-hydroxy propyl dihydrogen phosphoro-thioate Safety Profile
Moderately toxic by ingestion and intraperitoneal routes. See also PHOSPHATES. When S-3-(ω-Aminopropylamino)-2-hydroxy propyl dihydrogen phosphoro-thioate (CAS NO.56643-49-3) is heated to decomposition ,it emits very toxic fumes of POx, NOx, and SOx.
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