Product Name

  • Name

    3-[2-(dipropan-2-ylammonio)ethoxy]-4-oxo-4-phenylbutan-2-aminium dichloride

  • EINECS
  • CAS No. 73747-29-2
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C18H30N2O2•2ClH
  • Boiling Point 416.4°Cat760mmHg
  • Molecular Weight 379.42
  • Flash Point 205.6°C
  • Transport Information
  • Appearance
  • Safety Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. See also KETONES. When heated to decomposition it emits very toxic fumes of NOx and HCl.
  • Risk Codes
  • Molecular Structure Molecular Structure of 73747-29-2 (3-[2-(dipropan-2-ylammonio)ethoxy]-4-oxo-4-phenylbutan-2-aminium dichloride)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

3-Amino-2-(2-(diisopropylamino)ethoxy) butyrophenonedihydrochloride Chemical Properties

Molecule structure of 3-Amino-2-(2-(diisopropylamino)ethoxy) butyrophenonedihydrochloride (CAS NO.73747-29-2) :

IUPAC Name: 2-(3-azaniumyl-1-oxo-1-phenylbutan-2-yl)oxyethyl-di(propan-2-yl)azanium dichloride 
Molecular Weight: 379.36488 g/mol
Molecular Formula: C18H32Cl2N2O2
Boiling Point: 416.4 °C at 760 mmHg 
Flash Point: 205.6 °C
Enthalpy of Vaporization: 66.96 kJ/mol
Vapour Pressure: 3.84E-07 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 9
Tautomer Count: 2
Exact Mass: 378.184084
MonoIsotopic Mass: 378.184084
Topological Polar Surface Area: 58.4
Heavy Atom Count: 24
Complexity: 317
Canonical SMILES: CC(C)[NH+](CCOC(C(C)[NH3+])C(=O)C1=CC=CC=C1)C(C)C.[Cl-].[Cl-]
InChI: InChI=1S/C18H30N2O2.2ClH/c1-13(2)20(14(3)4)11-12-22-18(15(5)19)17(21)16-9-7-6-8-10-16;;/h6-10,13-15,18H,11-12,19H2,1-5H3;2*1H
InChIKey of 3-Amino-2-(2-(diisopropylamino)ethoxy) butyrophenonedihydrochloride (CAS NO.73747-29-2) : RBYCPEVQYUUPCC-UHFFFAOYSA-N

3-Amino-2-(2-(diisopropylamino)ethoxy) butyrophenonedihydrochloride Toxicity Data With Reference

1.    

orl-rat LD50:238 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 16 (1966),1275.
2.    

scu-rat LD50:111 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 16 (1966),1275.
3.    

ivn-rat LD50:3 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 16 (1966),1275.
4.    

orl-mus LD50:42 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 16 (1966),1275.
5.    

ipr-mus LD50:38 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 16 (1966),1275.
6.    

scu-mus LD50:42 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 16 (1966),1275.
7.    

ivn-mus LD50:7800 µg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 16 (1966),1275.
8.    

ivn-cat LD50:5 mg/kg

     ARZNAD    Arzneimittel-Forschung. Drug Research. 16 (1966),1275.

3-Amino-2-(2-(diisopropylamino)ethoxy) butyrophenonedihydrochloride Safety Profile

Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. See also KETONES. When heated to decomposition it emits very toxic fumes of NOx and HCl.

3-Amino-2-(2-(diisopropylamino)ethoxy) butyrophenonedihydrochloride Specification

 3-Amino-2-(2-(diisopropylamino)ethoxy) butyrophenonedihydrochloride (CAS NO.73747-29-2) is also called REC 7-0591 ; Butyrophenone, 3-amino-2-(2-(diisopropylamino)ethoxy)-, dihydrochloride .

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