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Substance Name: N-Ethyl-3-methylaniline
RN: 102-27-2
UNII: 12K193MTCR
InChIKey: GUYMMHOQXYZMJQ-UHFFFAOYSA-N

Molecular Formula

  • C9-H13-N

Molecular Weight

  • 135.209
 
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Names and Synonyms

Name of Substance

  • N-Ethyl-3-methylaniline

Synonyms

  • 4-12-00-01816 (Beilstein Handbook Reference)
  • Benzenamine, N-ethyl-3-methyl-
  • BRN 0742170
  • EINECS 203-019-4
  • HSDB 5347
  • m-Methyl-N-ethylaniline
  • m-Toluidine, N-ethyl-
  • N-Ethyl-3-methylaniline
  • N-Ethyl-3-methylbenzenamine
  • N-Ethyl-m-toluidine
  • NSC 8624
  • Toluene, 3-(ethylamino)-
  • UNII-12K193MTCR

Systematic Names

  • Benzenamine, N-ethyl-3-methyl-
  • m-Toluidine, N-ethyl- (8CI)
  • N-Ethyl-m-toluidine

Superlist Names

  • m-Toluidine, N-ethyl-
  • N-Ethyl-m-toluidine

Registry Numbers

CAS Registry Number

  • 102-27-2

FDA UNII

  • 12K193MTCR

System Generated Number

  • 0000102272

Structure Descriptors

InChI

1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3

InChIKey

GUYMMHOQXYZMJQ-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)C)NCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 280mg/kg (280mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(1), Pg. 50, 1986.
rat LD50 oral 580mg/kg (580mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(1), Pg. 50, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 221 deg C   EXP
pKa Dissociation Constant 5.25 (none) 25 EXP
log P (octanol-water) 2.660 (none)   EST
Water Solubility 470 mg/L 25 EST
Vapor Pressure 0.130 mm Hg 25 EST
Henry's Law Constant 6.10E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.20E-10 cm3/molecule-sec 25 EST

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