Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: N-Methylphenethylamine
RN: 589-08-2
UNII: 02N4V81704
InChIKey: SASNBVQSOZSTPD-UHFFFAOYSA-N

Note

  • Substrate for type A & B monoamine oxidase.

Classification Code

  • Reproductive Effect

Molecular Formula

  • C9-H13-N

Molecular Weight

  • 135.2087
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • N-Methylphenethylamine

Synonyms

  • 1-Phenyl-2-methylamino-aethan
  • 1-Phenyl-2-methylamino-aethan [German]
  • 1-Phenyl-2-methylaminoethane
  • 4-12-00-02453 (Beilstein Handbook Reference)
  • alpha-Phenyl-beta-methylaminoethane
  • BRN 0636347
  • EINECS 209-632-3
  • N-Methyl-beta-phenylaethylamin
  • N-Methyl-beta-phenylaethylamin [German]
  • N-Methyl-beta-phenylethylamine
  • N-Methyl-N-(2-phenylethyl)amine
  • NSC 113957
  • UNII-02N4V81704
  • WIN 5553

Systematic Names

  • Benzeneethanamine, N-methyl- (9CI)
  • N-Methylphenethylamine
  • Phenethylamine, N-methyl-

Registry Numbers

CAS Registry Number

  • 589-08-2

FDA UNII

  • 02N4V81704

Related Registry Number

  • 4104-43-2 (hydrochloride)

System Generated Number

  • 0000589082

Structure Descriptors

InChI

1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3

InChIKey

SASNBVQSOZSTPD-UHFFFAOYSA-N

Smiles

CNCCc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral 180mg/kg (180mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 195, Pg. 647, 1940.
mouse LDLo intraperitoneal 190mg/kg (190mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 106, Pg. 341, 1952.
rat LDLo intraperitoneal 180mg/kg (180mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 195, Pg. 647, 1940.
rat LDLo oral 1400mg/kg (1400mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 195, Pg. 647, 1940.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 206 deg C   EXP
pKa Dissociation Constant 10.08 (none) 20 EXP
log P (octanol-water) 1.91 (none)   EXP
Water Solubility 2.09E+04 mg/L 25 EST
Vapor Pressure 0.240 mm Hg 25 EST
Henry's Law Constant 1.78E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.09E-11 cm3/molecule-sec 25 EST

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