Product Name

  • Name

    parsalmide

  • EINECS
  • CAS No. 30653-83-9
  • Article Data4
  • CAS DataBase
  • Density 1.107g/cm3
  • Solubility
  • Melting Point 83-85℃
  • Formula C14H18 N2 O2
  • Boiling Point 424°Cat760mmHg
  • Molecular Weight 246.309
  • Flash Point 210.3°C
  • Transport Information
  • Appearance
  • Safety Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 30653-83-9 (parsalmide)
  • Hazard Symbols
  • Synonyms Benzamide,5-amino-N-butyl-2-(2-propynyloxy)- (8CI,9CI); MY 41-6; Parsal; Parsalmide
  • PSA 64.35000
  • LogP 2.78280

Parsalmide Chemical Properties

Molecule structure of 5-Amino-n-butyl-2-propargyloxy benzamide (CAS NO.30653-83-9) :

IUPAC Name: 5-amino-N-butyl-2-prop-2-ynoxybenzamide 
Molecular Weight: 246.30492 g/mol
Molecular Formula: C14H18N2O2
Density: 1.107 g/cm3
Melting Point: 84 °C
Boiling Point: 424 °C at 760 mmHg
Flash Point: 210.3 °C 
Molar Volume: 222.3 cm3
Polarizability: 28.45*10-24 cm3
Surface Tension: 46.5 dyne/cm 
Enthalpy of Vaporization: 67.85 kJ/mol
Vapour Pressure: 2.13E-07 mmHg at 25 °C 
log P (octanol-water): 2.050 (none)
Atmospheric OH Rate Constant: 6.49E-11 cm3/molecule-sec at 25 °C
XLogP3-AA: 1.9
H-Bond Donor: 2
H-Bond Acceptor: 3
Rotatable Bond Count: 6
Tautomer Count: 2
Exact Mass: 246.136828
MonoIsotopic Mass: 246.136828
Topological Polar Surface Area: 64.4
Heavy Atom Count: 18
Complexity: 308
Canonical SMILES: CCCCNC(=O)C1=C(C=CC(=C1)N)OCC#C
InChI: InChI=1S/C14H18N2O2/c1-3-5-8-16-14(17)12-10-11(15)6-7-13(12)18-9-4-2/h2,6-7,10H,3,5,8-9,15H2,1H3,(H,16,17)
InChIKey: DXHYQIJBUNRPJT-UHFFFAOYSA-N
EINECS: 250-274-2

Parsalmide Toxicity Data With Reference

1.    

orl-rat LD50:864 mg/kg

     DRFUD4    Drugs of the Future. 2 (1977),55.
2.    

orl-mus LD50:428 mg/kg

     DRFUD4    Drugs of the Future. 2 (1977),55.
3.    

ivn-mus LD50:148 mg/kg

     DRFUD4    Drugs of the Future. 2 (1977),55.

Parsalmide Safety Profile

Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.

Parsalmide Specification

 5-Amino-n-butyl-2-propargyloxy benzamide (CAS NO.30653-83-9) is also called Parsalmide ; 5-Amino-N-butyl-2-(2-propynyloxy)benzamide ; MY-41-6 ; Parsal  . 5-Amino-n-butyl-2-propargyloxy benzamide (CAS NO.30653-83-9) is high toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry.

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View