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Substance Name: N-Methyl butylamine
RN: 110-68-9
UNII: 61NTK0473L
InChIKey: QCOGKXLOEWLIDC-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C5-H13-N

Molecular Weight

  • 87.1647
 
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Names and Synonyms

Name of Substance

  • N-Methyl butylamine

Synonyms

  • 1-Butanamine, N-methyl-
  • Butylamine, N-methyl-
  • Butylmethylamine
  • EINECS 203-791-2
  • HSDB 2748
  • Methylbutylamine
  • N-(Methyl) butyl amine
  • N-Butyl-N-methylamine
  • N-Butylmethylamine
  • N-Methyl-N-butylamine
  • N-Methylbutanamine
  • N-Methylbutylamine
  • UNII-61NTK0473L

Systematic Names

  • 1-Butanamine, N-methyl-
  • Butylamine, N-methyl-
  • Butylmethylamine

Superlist Names

  • 1-Butanamine, N-methyl-
  • N-Methylbutylamine
  • N-Methylbutylamine [UN2945] [Flammable liquid]
  • UN2945

Registry Numbers

CAS Registry Number

  • 110-68-9

FDA UNII

  • 61NTK0473L

System Generated Number

  • 0000110689

Structure Descriptors

InChI

1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3

InChIKey

QCOGKXLOEWLIDC-UHFFFAOYSA-N

Smiles

C(CNC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 471mg/kg (471mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 82, 1946.
mouse LD50 intravenous 122mg/kg (122mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 82, 1946.
rabbit LD50 skin 1260uL/kg (1.26mL/kg) SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat LCLo inhalation 2000ppm/4H (2000ppm)   Union Carbide Data Sheet. Vol. 7/6/1970,
rat LD50 oral 420mg/kg (420mg/kg)   Union Carbide Data Sheet. Vol. 7/6/1970,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.50E+01 deg C   EXP
Boiling Point 91 deg C   EXP
pKa Dissociation Constant 10.9 (none) 25 EXP
log P (octanol-water) 1.33 (none)   EXP
Water Solubility 1.00E+06 mg/L 40 EXP
Vapor Pressure 50.5 mm Hg 25 EST
Henry's Law Constant 3.89E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.77E-11 cm3/molecule-sec 25 EST

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