Product Name

  • Name

    Benzenemethanol, a-[1-[methyl(3-phenyl-2-propenyl)amino]ethyl]-,hydrochloride, [S-(R*,S*)]- (9CI)

  • EINECS
  • CAS No. 64043-53-4
  • Density
  • Solubility
  • Melting Point
  • Formula C19H23 N O . Cl H
  • Boiling Point
  • Molecular Weight 317.89
  • Flash Point
  • Transport Information
  • Appearance
  • Safety Poison by subcutaneous route. Human systemic effects by very small amounts administered intradermally: unspecified skin effects. When heated to decomposition it emits very toxic fumes of HCl and NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 64043-53-4 (Benzenemethanol, a-[1-[methyl(3-phenyl-2-propenyl)amino]ethyl]-,hydrochloride, [S-(R*,S*)]- (9CI))
  • Hazard Symbols
  • Synonyms (1RS:2SR)-2-(Methyl-trans-cinnamyl-amino)-1-phenyl-propanol-(1), Hydrochlorid;BENZENEMETHANOL, A-[1-[METHYL(3-PHENYL-2-PROPENYL)AMINO]ETHYL]-,HYDROCHLORIDE, [S-(R*,S*)]-;
  • PSA 23.47000
  • LogP 4.55570

d-Cinnamylephedrine hydrochloride Chemical Properties

Molecule structure of d-Cinnamylephedrine hydrochloride (CAS NO.64043-53-4):

IUPAC Name: (1-Hydroxy-1-phenylpropan-2-yl)-methyl-[(E)-3-phenylprop-2-enyl]azanium chloride 
Molecular Weight: 317.85296 g/mol
Molecular Formula: C19H24ClNO 
Boiling Point: 431.5 °C at 760 mmHg
Flash Point: 165.9 °C
Enthalpy of Vaporization: 72.43 kJ/mol 
Vapour Pressure: 3.26E-08 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 6
Exact Mass: 317.154642
MonoIsotopic Mass: 317.154642
Topological Polar Surface Area: 24.7
Heavy Atom Count: 22
Complexity: 303
Canonical SMILES: CC(C(C1=CC=CC=C1)O)[NH+](C)CC=CC2=CC=CC=C2.[Cl-]
Isomeric SMILES: CC(C(C1=CC=CC=C1)O)[NH+](C)C/C=C/C2=CC=CC=C2.[Cl-]
InChI: InChI=1S/C19H23NO.ClH/c1-16(19(21)18-13-7-4-8-14-18)20(2)15-9-12-17-10-5-3-6-11-17;/h3-14,16,19,21H,15H2,1-2H3;1H/b12-9+;
InChIKey: RSBLYYMNHJDITE-NBYYMMLRSA-N
Classification Code of d-Cinnamylephedrine hydrochloride (CAS NO.64043-53-4): Human Data

d-Cinnamylephedrine hydrochloride Toxicity Data With Reference

1.    

idr-hmn TDLo:143 ng/kg:SKN

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 76 (1942),295.
2.    

scu-mus LD50:75 mg/kg

     JPETAB    Journal of Pharmacology and Experimental Therapeutics. 76 (1942),295.

d-Cinnamylephedrine hydrochloride Safety Profile

Poison by subcutaneous route. Human systemic effects by very small amounts administered intradermally: unspecified skin effects. When heated to decomposition it emits very toxic fumes of HCl and NOx.

d-Cinnamylephedrine hydrochloride Specification

 d-Cinnamylephedrine hydrochloride (CAS NO.64043-53-4) is also named as Cinnamylephedrine hydrochloride, dextro ; Benzyl alcohol, alpha-(1-(N-cinnamyl-N-methylamino)ethyl)-, hydrochloride, (+)- .

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