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Basic Information
CAS No.: 30653-83-9
Name: parsalmide
Article Data: 4
Molecular Structure:
Molecular Structure of 30653-83-9 (parsalmide)
Formula: C14H18 N2 O2
Molecular Weight: 246.309
Synonyms: Benzamide,5-amino-N-butyl-2-(2-propynyloxy)- (8CI,9CI); MY 41-6; Parsal; Parsalmide
Density: 1.107g/cm3
Melting Point: 83-85℃
Boiling Point: 424°Cat760mmHg
Flash Point: 210.3°C
Safety: Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx.
PSA: 64.35000
LogP: 2.78280
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  • Benzamide,5-amino-N-butyl-2-(2-propyn-1-yloxy)-

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    30653-83-9

    Benzamide,5-amino-N-butyl-2-(2-propyn-1-yloxy)-

    Min.Order: 1 Gram

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

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  • Benzamide,5-amino-N-butyl-2-(2-propyn-1-yloxy)-

  • Casno:

    30653-83-9

    Benzamide,5-amino-N-butyl-2-(2-propyn-1-yloxy)-

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

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Chemistry

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

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.

Safety Profile

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

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.