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Substance Name: N-Isopropylaniline
RN: 768-52-5
UNII: I7Y9616F3R
InChIKey: FRCFWPVMFJMNDP-UHFFFAOYSA-N

Classification Code

  • TWA (2 ppm); skin; BEI

Molecular Formula

  • C9-H13-N

Molecular Weight

  • 135.209
 
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Names and Synonyms

Name of Substance

  • N-Isopropylaniline

Synonyms

  • 4-12-00-00255 (Beilstein Handbook Reference)
  • Aniline, N-isopropyl-
  • Benzenamine, N-(1-methylethyl)-
  • BRN 2205871
  • CCRIS 4831
  • EINECS 212-196-7
  • HSDB 6133
  • Isopropylaniline
  • N-Isopropylaniline
  • N-Phenylisopropylamine
  • UNII-I7Y9616F3R

Systematic Names

  • Aniline, N-isopropyl-
  • Benzenamine, N-(1-methylethyl)-
  • N-Isopropylaniline

Superlist Names

  • Aniline, N-isopropyl-
  • Benzenamine, N-(1-methylethyl)-
  • N-Isopropylaniline

Registry Numbers

CAS Registry Number

  • 768-52-5

FDA UNII

  • I7Y9616F3R

System Generated Number

  • 0000768525

Structure Descriptors

InChI

1S/C9H13N/c1-8(2)10-9-6-4-3-5-7-9/h3-8,10H,1-2H3

InChIKey

FRCFWPVMFJMNDP-UHFFFAOYSA-N

Smiles

c1(ccccc1)NC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 547mg/kg (547mg/kg)   National Technical Information Service. Vol. OTS0572513,
rabbit LD50 skin 3550mg/kg (3550mg/kg)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 6, Pg. 833, 1991.
rat LC50 inhalation 1100mg/m3/4H (1100mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) National Technical Information Service. Vol. OTS0572512,
rat LD50 oral 560mg/kg (560mg/kg)   "Documentation of the Threshold Limit Values and Biological Exposure Indices," 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986Vol. 6, Pg. 833, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.00E+01 deg C   EXP
Boiling Point 203 deg C   EXP
pKa Dissociation Constant 5.3 (none) 25 EXP
log P (octanol-water) 2.530 (none)   EST
Water Solubility 931 mg/L 25 EST
Vapor Pressure 0.440 mm Hg 25 EST
Henry's Law Constant 7.37E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.10E-11 cm3/molecule-sec 25 EST

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