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Substance Name: Trimethylenediamine
RN: 109-76-2
UNII: CB3ISL56KG
InChIKey: XFNJVJPLKCPIBV-UHFFFAOYSA-N

Classification Codes

  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formula

  • C3-H10-N2

Molecular Weight

  • 74.126
 
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Names and Synonyms

Name of Substance

  • Trimethylenediamine

Synonyms

  • 1,3-Diaminopropane
  • 1,3-Propylenediamine
  • 4-04-00-01258 (Beilstein Handbook Reference)
  • AI3-25358
  • alpha,omega-Propanediamine
  • BRN 0605277
  • CCRIS 4054
  • DAP
  • EC 203-702-7
  • EINECS 203-702-7
  • NSC 8154
  • TMEDA
  • Trimethylenediamine
  • UNII-CB3ISL56KG

Systematic Names

  • 1,3-Diaminopropane
  • 1,3-Propanediamine
  • Trimethylenediamine

Superlist Names

  • 1,3-Diaminopropane
  • 1,3-Propanediamine

Registry Numbers

CAS Registry Number

  • 109-76-2

FDA UNII

  • CB3ISL56KG

Other Registry Numbers

  • 1628783-17-4
  • 54018-94-9

Related Registry Number

  • 10517-44-9 (di-hydrochloride)

System Generated Number

  • 0000109762

Structure Descriptors

InChI

1S/C3H10N2/c4-2-1-3-5/h1-5H2

InChIKey

XFNJVJPLKCPIBV-UHFFFAOYSA-N

Smiles

C(CN)CN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 296mg/kg (296mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 1117, 1977.
rabbit LD50 skin 200uL/kg (0.2mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LD50 oral 350uL/kg (0.35mL/kg)   American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 139.8 deg C   EXP
pKa Dissociation Constant 10.62 (none) 20 EXP
log P (octanol-water) -1.43E+00 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 11.5 mm Hg 25 EST
Henry's Law Constant 1.37E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.48E-11 cm3/molecule-sec 25 EST

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