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Substance Name: Benzathine
RN: 140-28-3
UNII: C659VZ7P7T
InChIKey: JUHORIMYRDESRB-UHFFFAOYSA-N

Molecular Formula

  • C16-H20-N2

Molecular Weight

  • 240.348
 
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Names and Synonyms

Name of Substance

  • Benzathine

Synonyms

  • 1,2-Bis(benzylamino)ethane
  • 4-12-00-02321 (Beilstein Handbook Reference)
  • AI3-23851
  • Benzathine
  • Benzatin
  • BRN 0786668
  • DBED
  • EINECS 205-408-4
  • N,N'-Dibenzylethylenediamine
  • NSC 5632
  • UNII-C659VZ7P7T
  • USAF DO-53

Systematic Names

  • 1,2-Ethanediamine, N,N'-bis(phenylmethyl)-
  • 1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-
  • Ethylenediamine, N,N'-dibenzyl-
  • N,N'-Dibenzylethylenediamine

Registry Numbers

CAS Registry Number

  • 140-28-3

FDA UNII

  • C659VZ7P7T

Other Registry Number

  • 87170-83-0

Related Registry Numbers

  • 122-75-8 (diacetate)
  • 3412-76-8 (di-hydrochloride)

System Generated Number

  • 0000140283

Structure Descriptors

InChI

1S/C16H20N2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2

InChIKey

JUHORIMYRDESRB-UHFFFAOYSA-N

Smiles

c1(CNCCNCc2ccccc2)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral 388mg/kg (388mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Cancer Chemotherapy Reports. Vol. 52, Pg. 579, 1968.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 26 deg C   EXP
log P (octanol-water) 2.730 (none)   EST
Water Solubility 3930 mg/L 24 EXP
Atmospheric OH Rate Constant 1.74E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.