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Substance Name: 2-Propen-1-aminium, N-(2-amino-2-oxoethyl)-N,N-dimethyl-3-phenyl-
RN: 111983-67-6
InChIKey: RSZAJLBAXQLVOP-RMKNXTFCSA-O

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H19-N2-O

Molecular Weight

  • 219.3061
 
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Names and Synonyms

Synonym

  • N-(2-Amino-2-oxoethyl)-N,N-dimethyl-3-phenyl-2-propen-1-aminium

Systematic Name

  • 2-Propen-1-aminium, N-(2-amino-2-oxoethyl)-N,N-dimethyl-3-phenyl-

Registry Numbers

CAS Registry Number

  • 111983-67-6

System Generated Number

  • 0111983676

Structure Descriptors

InChI

1S/C13H18N2O/c1-15(2,11-13(14)16)10-6-9-12-7-4-3-5-8-12/h3-9H,10-11H2,1-2H3,(H-,14,16)/p+1/b9-6+

InChIKey

RSZAJLBAXQLVOP-RMKNXTFCSA-O

Smiles

C[N+](C)(C/C=C/c1ccccc1)CC(=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 575, 1987.
rat LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 575, 1987.