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Substance Name: Caldopentamine
RN: 13274-42-5
InChIKey: BELZJFWUNQWBES-UHFFFAOYSA-N

Note

  • From cells of extreme thermophile, Thermus thermophilus, grown at 80 degrees Celcius.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H31-N5

Molecular Weight

  • 245.412
 
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Names and Synonyms

Name of Substance

  • Caldopentamine

Synonyms

  • Caldopentamine
  • EINECS 236-272-4
  • N-(3-Aminopropyl)-N'-(3-((3-aminopropyl)amino)propyl)-1,3-propanediamine
  • Tetrapropylenepentamine
  • Tetratrimethylenepentamine

Systematic Names

  • 1,3-Propanediamine, N-(3-aminopropyl)-N'-(3-((3-aminopropyl)amino)propyl)-
  • 1,3-Propanediamine, N1-(3-aminopropyl)-N3-(3-((3-aminopropyl)amino)propyl)-
  • Dipropylamine, 3,3'-bis((3-(aminopropyl))amino)- (7CI,8CI)
  • N-(3-Aminopropyl)-N'-(3-((3-aminopropyl)amino)propyl)propane-1,3-diamine

Registry Numbers

CAS Registry Number

  • 13274-42-5

System Generated Number

  • 0013274425

Structure Descriptors

InChI

1S/C12H31N5/c13-5-1-7-15-9-3-11-17-12-4-10-16-8-2-6-14/h15-17H,1-14H2

InChIKey

BELZJFWUNQWBES-UHFFFAOYSA-N

Smiles

N(CCCNCCCN)CCCNCCCN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 100uL/kg (0.1mL/kg) LIVER: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
National Technical Information Service. Vol. OTS0534559,
rat LD50 oral 1070uL/kg (1.07mL/kg) LIVER: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

KIDNEY, URETER, AND BLADDER: OTHER CHANGES
National Technical Information Service. Vol. OTS0534559,