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5238-52-8

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Basic Information
CAS No.: 5238-52-8
Name: dl-CYANOCARNITINE CHLORIDE
Molecular Structure:
Molecular Structure of 5238-52-8 (dl-CYANOCARNITINE CHLORIDE )
Formula: C7H15N2O•Cl
Molecular Weight: 178.69
Safety: A poison by subcutaneous route. When heated to decomposition it emits toxic vapors of NOx and Cl−.
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Chemistry

Empirical Formula of DL-Cyanocarnitine chloride (CAS NO.5238-52-8): C7H15ClN2O
Molecular Weight: 178.6598
Structure of DL-Cyanocarnitine chloride (CAS NO.5238-52-8):
                          
IUPAC Name: (3-Cyano-2-hydroxypropyl)-trimethylazanium chloride
Canonical SMILES: C[N+](C)(C)CC(CC#N)O.[Cl-]
InChI: InChI=1S/C7H15N2O.ClH/c1-9(2,3)6-7(10)4-5-8;/h7,10H,4,6H2,1-3H3;1H/q+1;/p-1
InChIKey: ZOYKKWXSDFNANU-UHFFFAOYSA-M

Toxicity Data With Reference

1.    

scu-mus LD50:300 mg/kg ABMGAJ 3,28,1959

Safety Profile

A poison by subcutaneous route. When heated to decomposition DL-Cyanocarnitine chloride (CAS NO.5238-52-8) emits toxic vapors of NOx and Cl−.

Specification

 DL-Cyanocarnitine chloride , its cas register number is 5238-52-8. It also can be called 1-Propanaminium, 3-cyano-2-hydroxy-N,N,N-trimethyl-, chloride, (+-)- ; D,L-(3-Cyano-2-hydroxypropyl)trimethylammonium chloride ; and D,L-Carnitinnitrilchlorid .