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87129-71-3

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Basic Information
CAS No.: 87129-71-3
Name: Arnolol
Molecular Structure:
Molecular Structure of 87129-71-3 (Arnolol)
Formula: C14H23 N O3
Molecular Weight: 253.3373
Synonyms: Arnolol
Density: 1.07 g/cm3
Boiling Point: 395.5 °C at 760 mmHg
Flash Point: 193 °C
PSA: 64.71000
LogP: 2.05280
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    Molecular Structure of Arnolol (CAS No.87129-71-3): Molecular Formula: C14H23NO3 Molecular Weight: 253.3373 CAS No: 87129-71-3 H bond acceptors: 4 H bond donors: 3 Freely Rotating Bonds: 9 Polar Surface Area: 30.93 Å2 Index

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Chemistry

Molecular Structure of Arnolol (CAS No.87129-71-3):

Molecular Formula: C14H23NO3
Molecular Weight: 253.3373
CAS No: 87129-71-3
H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 9
Polar Surface Area: 30.93 Å2
Index of Refraction: 1.523
Molar Refractivity: 72.38 cm3
Molar Volume: 236.7 cm3
Surface Tension: 40.5 dyne/cm
Density: 1.07 g/cm3
Flash Point: 193 °C
Enthalpy of Vaporization: 68.09 kJ/mol
Boiling Point: 395.5 °C at 760 mmHg
Vapour Pressure: 5.78E-07 mmHg at 25°C
IUPAC Name: 3-Amino-1-[4-(2-methoxyethyl)phenoxy]-3-methylbutan-2-ol 
InChI: InChI=1/C14H23NO3/c1-14(2,15)13(16)10-18-12-6-4-11(5-7-12)8-9-17-3/h4-7,13,16H,8-10,15H2,1-3H3
InChIKey: LAWLHMWODZUZJH-UHFFFAOYAV
Std. InChI: InChI=1S/C14H23NO3/c1-14(2,15)13(16)10-18-12-6-4-11(5-7-12)8-9-17-3/h4-7,13,16H,8-10,15H2,1-3H3
Std. InChIKey: LAWLHMWODZUZJH-UHFFFAOYSA-N

Specification

   Arnolol (CAS No.87129-71-3), its synonyms are (+-)-3-Amino-1-(p-(2-methoxyethyl)phenoxy)-3-methyl-2-butanol ; (±)-3-Amino-1-(4-(2-methoxyethyl)phenoxy)-3-methyl-2-butanol ; 2-Butanol, 3-amino-1-(4-(2-methoxyethyl)phenoxy)-3-methyl- ; 3-Amino-1-[4-(2-methoxyethyl)phenoxy]-3-methylbutan-2-ol .