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Benzenemethanol, a-[(1S)-1-amino-2-methylpropyl]-a-phenyl- (78603-95-9)

Identification
Name:Benzenemethanol, a-[(1S)-1-amino-2-methylpropyl]-a-phenyl-
Synonyms:Benzenemethanol,a-(1-amino-2-methylpropyl)-a-phenyl-, (S)-;(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol;(2S)-2-Amino-3-methyl-1,1-diphenyl-1-butanol;(S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol;(S)-1-Hydroxy-1,1-diphenyl-2-amino-3-methylbutane;(S)-2-Amino-1,1-diphenyl-3-methyl-1-butanol;(S)-2-Amino-3-methyl-1,1-diphenylbutan-1-ol;(S)-2-Amino-3-methyl-1,1-diphenylbutanol;
CAS:78603-95-9
Molecular Formula: C17H21NO
Molecular Weight: 255.3547
InChI: InChI=1/C17H21NO/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,19H,18H2,1-2H3/t16-/m0/s1
Molecular Structure: (C17H21NO) Benzenemethanol,a-(1-amino-2-methylpropyl)-a-phenyl-, (S)-;(-)-2-Amino-3-methyl-1,1-diphenyl-1-butan...
Properties
Melting Point: 95-99 ºC(lit.)
Flash Point: 210.6 ºC
Boiling Point: 424.7 ºC at 760 mmHg
Density:1.074 g/cm3
Refractive index:1.576
Specification:

The (S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol, with CAS registry number 78603-95-9, belongs to the following product category: Chiral Reagents. It has the systematic name of (2S)-2-amino-3-methyl-1,1-diphenylbutan-1-ol. Besides this, it is also called Benzenemethanol, α-[(1S)-1-amino-2-methylpropyl]-α-phenyl-.

Physical properties of (S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol: (1)ACD/LogP: 3.60; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.576; (8)Molar Refractivity: 78.65 cm3; (9)Molar Volume: 237.6 cm3; (10)Polarizability: 31.18×10-24cm3; (11)Surface Tension: 43.3 dyne/cm; (12)Enthalpy of Vaporization: 71.6 kJ/mol; (13)Vapour Pressure: 5.73E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The (S)-(-)-2-Amino-3-methyl-1,1-diphenyl-1-butanol irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1ccccc1)(c2ccccc2)[C@@H](N)C(C)C
(2)InChI: InChI=1/C17H21NO/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,19H,18H2,1-2H3/t16-/m0/s1
(3)InChIKey: LNQVZZGGOZBOQS-INIZCTEOBI
(4)Std. InChI: InChI=1S/C17H21NO/c1-13(2)16(18)17(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,19H,18H2,1-2H3/t16-/m0/s1
(5)Std. InChIKey: LNQVZZGGOZBOQS-INIZCTEOSA-N

Flash Point: 210.6 ºC
Safety Data
Hazard Symbols Xi: Irritant