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Substance Name: N-Butylaniline
RN: 1126-78-9
UNII: R2ZNJ7L2UM
InChIKey: VSHTWPWTCXQLQN-UHFFFAOYSA-N

Molecular Formula

  • C10-H15-N

Molecular Weight

  • 149.236
 
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Names and Synonyms

Name of Substance

  • N-Butylaniline

Synonyms

  • 4-(Phenylamino)butane
  • 4-12-00-00256 (Beilstein Handbook Reference)
  • AI3-15307
  • BRN 2206226
  • EINECS 214-425-6
  • N-(n-Butyl)aniline
  • N-Butylaniline
  • N-Butylbenzenamine
  • NSC 7114
  • UNII-R2ZNJ7L2UM

Systematic Names

  • Aniline, N-butyl-
  • Benzamine, N-butyl-
  • Benzenamine, N-butyl-
  • N-Butylaniline

Superlist Names

  • Benzenamine, N-butyl-
  • N-(n-Butyl)aniline
  • N-Butylaniline
  • N-Butylaniline [UN2738] [Poison]
  • UN2738

Registry Numbers

CAS Registry Number

  • 1126-78-9

FDA UNII

  • R2ZNJ7L2UM

System Generated Number

  • 0001126789

Structure Descriptors

InChI

1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3

InChIKey

VSHTWPWTCXQLQN-UHFFFAOYSA-N

Smiles

c1(NCCCC)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 282mg/kg (282mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 48(6), Pg. 22, 1983.
rabbit LD50 skin 5990uL/kg (5.99mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 1620mg/kg (1620mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.44E+01 deg C   EXP
Boiling Point 243.5 deg C   EXP
pKa Dissociation Constant 5.12 (none) 25 EXP
log P (octanol-water) 3.58 (none)   EXP
Water Solubility 67 mg/L 25 EST
Vapor Pressure 0.091 mm Hg 25 EST
Henry's Law Constant 9.78E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.61E-11 cm3/molecule-sec 25 EST

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