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134855-89-3

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Basic Information
CAS No.: 134855-89-3
Name: (R)-4-(1-Aminoethyl)phenol (S)-hydroxybutanedioate salt
Molecular Structure:
Molecular Structure of 134855-89-3 ((R)-4-(1-Aminoethyl)phenol (S)-hydroxybutanedioate salt)
Formula: C8H11NO.C4H6O5
Molecular Weight: 271.27
Synonyms: 4-[(1S)-1-Aminoethyl]phenol;(S)-1-(4-Hydroxyphenyl)ethylamine Bromide Salt;
Density: 1.096 g/cm3
Boiling Point: 252.2 °C at 760 mmHg
Flash Point: 106.3 °C
PSA: 46.25000
LogP: 2.11220
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Specification

The (R)-4-(1-Aminoethyl)phenol (S)-hydroxybutanedioate salt, with CAS registry number of 134855-89-3, has the systematic name of 4-[(1S)-1-aminoethyl]phenol. And it is also called phenol, 4-[(1S)-1-aminoethyl]-.

Physical properties about this chemical are: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 46.25 Å2; (7)Index of Refraction: 1.572; (8)Molar Refractivity: 41.22 cm3; (9)Molar Volume: 125.1 cm3; (10)Polarizability: 16.34×10-24cm3; (11)Surface Tension: 46.4 dyne/cm; (12)Enthalpy of Vaporization: 50.93 kJ/mol; (13)Vapour Pressure: 0.0123 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: CC(c1ccc(cc1)O)N
(2)InChI: InChI=1/C8H11NO/c1-6(9)7-2-4-8(10)5-3-7/h2-6,10H,9H2,1H3/t6-/m0/s1
(3)InChIKey: CDQPLIAKRDYOCB-LURJTMIEBM
(4)Std. InChI: InChI=1S/C8H11NO/c1-6(9)7-2-4-8(10)5-3-7/h2-6,10H,9H2,1H3/t6-/m0/s1
(5)Std. InChIKey: CDQPLIAKRDYOCB-LURJTMIESA-N