Benzenemethanol, α-[1-[methyl(3-phenyl-2-propen-1-yl)amino]ethyl]- supplier

Name
cinnamedrine
EINECS 202-021-2
CAS No. 90-86-8
Article Data3
CAS DataBase
Density 1.069 g/cm³
Solubility
Melting Point 75°C
Formula C₁₉H₂₃NO
Boiling Point 431.5 °C at 760 mmHg
Molecular Weight 281.398
Flash Point 165.9 °C
Transport Information
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenemethanol,a-[1-[methyl(3-phenyl-2-propenyl)amino]ethyl]-(9CI);Benzyl alcohol, a-[1-(cinnamylmethylamino)ethyl]- (8CI);2-(Cinnamylmethylamino)-1-phenyl-1-propanol;Cinnamedrine;Cinnamedrone;N-Cinnamylephedrine;a-[1-(Cinnamylmethylamino)ethyl]benzyl alcohol;
PSA 23.47000
LogP 3.75370

Benzenemethanol, α-[1-[methyl(3-phenyl-2-propen-1-yl)amino]ethyl]- Specification

The Benzenemethanol, α-[1-[methyl(3-phenyl-2-propen-1-yl)amino]ethyl]-, with CAS registry number 90-86-8, has the systematic name of 2-{methyl[(2E)-3-phenylprop-2-en-1-yl]amino}-1-phenylpropan-1-ol. Its classification code is Relaxant [smooth muscle]. And the chemical formula of this chemical is C₁₉H₂₃NO.

Physical properties of Benzenemethanol, α-[1-[methyl(3-phenyl-2-propen-1-yl)amino]ethyl]-: (1)ACD/LogP: 4.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 12.47 Å²; (7)Index of Refraction: 1.603; (8)Molar Refractivity: 90.37 cm³; (9)Molar Volume: 263 cm³; (10)Polarizability: 35.82×10^-24cm³; (11)Surface Tension: 44.6 dyne/cm; (12)Density: 1.069 g/cm³; (13)Flash Point: 165.9 °C; (14)Enthalpy of Vaporization: 72.43 kJ/mol; (15)Boiling Point: 431.5 °C at 760 mmHg; (16)Vapour Pressure: 3.26E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1ccccc1)C(N(C\C=C\c2ccccc2)C)C
(2)InChI: InChI=1/C19H23NO/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/b12-9+
(3)InChIKey: YMJMZFPZRVMNCH-FMIVXFBMBQ
(4)Std. InChI: InChI=1S/C19H23NO/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/b12-9+
(5)Std. InChIKey: YMJMZFPZRVMNCH-FMIVXFBMSA-N

Product Name

cinnamedrine

Benzenemethanol, α-[1-[methyl(3-phenyl-2-propen-1-yl)amino]ethyl]- Specification

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