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131-07-7

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Basic Information
CAS No.: 131-07-7
Name: Serpentine
Molecular Structure:
Molecular Structure of 131-07-7 (Serpentine)
Formula: C21H29N2O3
Molecular Weight: 348.43
Density: 1.1379 (rough estimate)
Melting Point: 158° (air-dried); mp 175° (after drying at 120° in a high vacuum, but still not entirely solvent-free)
Boiling Point: 490.09°C (rough estimate)
Hazard Symbols: 3
Safety: Poison by subcutaneous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
PSA: 52.30000
LogP: 2.50180
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Chemistry

Molecular Formula: C21H20N2O3
Molecular Weight: 348.3951
Molecular structure:
ACD/LogP: -0.04 
ACD/LogD (pH 5.5): -2.04 
ACD/LogD (pH 7.4): -2.04 
ACD/BCF (pH 5.5): 1 
ACD/BCF (pH 7.4): 1 
ACD/KOC (pH 5.5): 1 
ACD/KOC (pH 7.4): 1 
H bond acceptors: 5 
H bond donors: 0 
Freely Rotating Bonds: 2  
Index of Refraction: 1.694 
Molar Refractivity: 96.85 cm3 
Molar Volume: 252 cm3 
Polarizability: 38.39×10-24cm3 
Surface Tension: 51.1 dyne/cm 
Density: 1.38 g/cm3 
Flash Point: 303.4 °C 
Enthalpy of Vaporization: 86.52 kJ/mol 
Boiling Point: 578.1 °C at 760 mmHg 
Vapour Pressure: 2.32E-13 mmHg at 25 °C 

Uses

 Serpentine (CAS No.131-07-7) is commonly used as chemical reagent.

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 144mg/kg (144mg/kg) BEHAVIORAL: ANTIPSYCHOTIC

BEHAVIORAL: AGGRESSION

LUNGS, THORAX, OR RESPIRATION: CYANOSIS		 Archives Internationales de Pharmacodynamie et de Therapie. Vol. 123, Pg. 168, 1959.
mouse LD50 subcutaneous 166mg/kg (166mg/kg) BEHAVIORAL: ANTIPSYCHOTIC

BEHAVIORAL: AGGRESSION

LUNGS, THORAX, OR RESPIRATION: CYANOSIS		 Archives Internationales de Pharmacodynamie et de Therapie. Vol. 123, Pg. 168, 1959.
rat LD50 intraperitoneal 42mg/kg (42mg/kg) BEHAVIORAL: ANTIPSYCHOTIC

BEHAVIORAL: AGGRESSION

LUNGS, THORAX, OR RESPIRATION: CYANOSIS		 Archives Internationales de Pharmacodynamie et de Therapie. Vol. 123, Pg. 168, 1959.
 

Safety Profile

Poison by subcutaneous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.

Specification

 Serpentine (CAS NO.131-07-7), its Synonyms are Methyl ester of serpentinic acid ; Serpentine hydroxide, inner salt ; Serpentine (alkaloid), hydroxide, inner salt .