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Benzenemethanol, a-[[(1,1-dimethylethyl)amino]methyl]-,(aS)- (14467-32-4)

Identification
Name:Benzenemethanol, a-[[(1,1-dimethylethyl)amino]methyl]-,(aS)-
Synonyms:Benzenemethanol,a-[[(1,1-dimethylethyl)amino]methyl]-,(S)-; Benzyl alcohol, a-[(tert-butylamino)methyl]-, L-(+)- (8CI); (+)-a-[(tert-Butylamino)methyl]benzyl alcohol
CAS:14467-32-4
Molecular Formula: C12H19 N O
Molecular Weight: 177.28596
InChI: InChI=1/C12H19NO/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10/h4-8,11,13-14H,9H2,1-3H3/t11-/m1/s1
Molecular Structure: (C12H19NO) Benzenemethanol,a-[[(1,1-dimethylethyl)amino]methyl]-,(S)-; Benzyl alcohol, a-[(tert-butylamino)meth...
Properties
Melting Point: 105-108 °C(lit.)
Flash Point: 80.7°C
Boiling Point: 284°Cat760mmHg
Density:0.989g/cm3
Refractive index:1.52
Specification:

  (S)-(+)-2-tert-Butylamino-1-phenylethanol , with cas registry number of 14467-32-4, belongs to the categories of Amino Alcohols; Chiral Building Blocks; Organic Building Blocks according its structure and the application that it is used to prepare the (5S)-3-tert-Butyl-5-oxazolidin-2-one . This compound irritates to eyes, respiratory system and skin. When use it, it is better to wear suitable protective clothing. When contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

 The systematic name of (S)-(+)-2-tert-Butylamino-1-phenylethanol is called (1S)-2-(tert-butylamino)-1-phenylethanol . The characters about the structure are SMILES: O[C@@H](c1ccccc1)CNC(C)(C), InChI: InChI=1/C12H19NO/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10/h4-8,11,13-14H,9H2,1
-3H3/t11-/m1/s1, InChIKey: NRVOOKOHYKJCPB-LLVKDONJBV.

 The physical properties of (S)-(+)-2-tert-Butylamino-1-phenylethanol include (1) H bond acceptors: 2, (2) H bond donors: 2, (3) Freely Rotating Bonds: 5, (4) Index of Refraction: 1.52, (5) Molar Refractivity: 59.432 cm3, (6) Molar Volume: 195.396 cm3, (7) Surface Tension: 36.86 dyne/cm, (8) Enthalpy of Vaporization: 55.235 kJ/mol, (9) Vapour Pressure: 0.001 mmHg at 25°C.

Flash Point: 80.7°C
Safety Data
Hazard Symbols Xi: Irritant
 

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