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Substance Name: Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride
RN: 97805-02-2
InChIKey: PTBHDMQRJPPXKL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H10-Cl2-N2.Cl-H

Molecular Weight

  • 217.526
 
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Names and Synonyms

Synonym

  • (Bis(2-chloroethyl)amino)acetonitrile monohydrochloride

Systematic Name

  • Acetonitrile, (bis(2-chloroethyl)amino)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 97805-02-2

System Generated Number

  • 0097805022

Molecular Formulas

Molecular Formula

  • C6-H10-Cl2-N2.Cl-H

Molecular Formula Fragments

  • C6-H10-Cl2-N2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C6H10Cl2N2.ClH/c7-1-4-10(5-2-8)6-3-9;/h1-2,4-6H2;1H

InChIKey

PTBHDMQRJPPXKL-UHFFFAOYSA-N

Smiles

[NH+](CC#N)(CCCl)CCCl.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 75mg/kg (75mg/kg)   Pharmaceutical Bulletin. Vol. 2, Pg. 275, 1954.