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Substance Name: Pentamethylmelamine
RN: 16268-62-5
UNII: UEF6R96K8R
InChIKey: XIFVTSIIYVGRHJ-UHFFFAOYSA-N

Classification Codes

  • Antineoplastic Agents
  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H16-N6

Molecular Weight

  • 196.256
 
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Names and Synonyms

Name of Substance

  • Pentamethylmelamine

Synonyms

  • AI3-51239
  • BRN 0747238
  • N,N,N',N''-Pentamethyl-1,3,5-triazine-2,4,6-triamine
  • N,N,N',N',N''-Pentamethyl-1,3,5-triazine-2,4,6-triamine
  • Pentamethylmelamine
  • PMM
  • UNII-UEF6R96K8R
  • UNT 51239

Systematic Names

  • 1,3,5-Triazine-2,4,5-triamine, N,N,N',N',N''-pentamethyl-
  • 1,3,5-Triazine-2,4,6-triamine, N,N,N',N''-pentamethyl- (9CI)
  • Melamine, pentamethyl-
  • N,N,N',N',N''-Pentamethyl-1,3,5-triazine

Registry Numbers

CAS Registry Number

  • 16268-62-5

FDA UNII

  • UEF6R96K8R

Related Registry Numbers

  • 16268-63-6 (unspecified hydrochloride)
  • 35832-09-8 (mono-hydrochloride)

System Generated Number

  • 0016268625

Structure Descriptors

InChI

1S/C8H16N6/c1-9-6-10-7(13(2)3)12-8(11-6)14(4)5/h1-5H3,(H,9,10,11,12)

InChIKey

XIFVTSIIYVGRHJ-UHFFFAOYSA-N

Smiles

c1(nc(nc(n1)NC)N(C)C)N(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 intraperitoneal 175mg/kg (175mg/kg) BLOOD: CHANGES IN BONE MARROW NOT INCLUDED ABOVE

BLOOD: GRANULOCYTOPENIA
Cancer Research. Vol. 40, Pg. 2762, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.83 (none)   EXP
Water Solubility 1250 mg/L 25 EST
Vapor Pressure 3.11E-04 mm Hg 25 EST
Henry's Law Constant 8.41E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.98E-12 cm3/molecule-sec 25 EST

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