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5107-01-7

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Basic Information
CAS No.: 5107-01-7
Name: Alloclamide hydrochloride
Molecular Structure:
Molecular Structure of 5107-01-7 (Alloclamide hydrochloride)
Formula: C16H23ClN2O2•ClH
Molecular Weight: 347.32
Synonyms: Alloclamide hydrochloride;Hexacol;Alloclamide HCl;EINECS 225-830-2;
Boiling Point: 431.9°C at 760 mmHg
Flash Point: 215°C
Safety: Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and HCl.
PSA: 45.06000
LogP: 4.35320
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    Alloclamide hydrochloride

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Chemistry

The Molecular Structure of Alloclamide hydrochloride (CAS NO.5107-01-7):
Molecular Formula: C16H24Cl2N2O2
Molecular Weight: 347.279960 g/mol
Classification: Drug / Therapeutic Agent
IUPAC: 4-chloro-N-(2-diethylaminoethyl)-2-prop-2-enoxybenzamide hydrochloride
Nominal Mass: 346 Da
Average Mass: 347.28 Da
Monoisotopic Mass: 346.121483 Da 
ACD/LogP: 3.61
 Flash Point: 215 °C
Enthalpy of Vaporization: 68.76 kJ/mol
Boiling Point: 431.9 °C at 760 mmHg
Vapour Pressure: 1.16E-07 mmHg at 25°C 
InChI: InChI=1/C16H23ClN2O2.ClH/c1-4-11-21-15-12-13(17)7-8-14(15)16(20)18-9-10-19(5-2)6-3;/h4,7-8,12H,1,5-6,9-11H2,2-3H3,(H,18,20);1H
Smiles: C(c1c(cc(cc1)Cl)OCC=C)(=O)NCCN(CC)CC.Cl

Toxicity Data With Reference

1.    

orl-mus LD50:746 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 4 (1973),90.
2.    

scu-mus LD50:155 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 4 (1973),90.
3.    

ivn-mus LD50:61 mg/kg

     IYKEDH    Iyakuhin Kenkyu. Study of Medical Supplies. 4 (1973),90.
4.    

ivn-dog LDLo:50 mg/kg

     JJPAAZ    Japanese Journal of Pharmacology. 16 (1966),342.

Safety Profile

Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and HCl.

Specification

 Alloclamide hydrochloride (CAS NO.5107-01-7) is also called as 2-Allyloxy-4-chloro-N-(2-(diethylamino)ethyl)benzamide hydrochloride ; Alloclamide HCl ; EINECS 225-830-2 ; Hexacol ; 2-(Allyloxy)-4-chloro-N-(2-(diethylamino)ethyl)benzamide monohydrochloride ; Benzamide, 2-allyloxy-4-chloro-N-(2-(diethylamino)ethyl)-, hydrochloride .