Home >> Chemicals Listing >> hot product list by B  

Benzenemethanol, a-[(1R)-1-amino-2-methylpropyl]-a-phenyl- (86695-06-9)

Identification
Name:Benzenemethanol, a-[(1R)-1-amino-2-methylpropyl]-a-phenyl-
CAS:86695-06-9
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-/m1/s1
Molecular Structure: (C17H21NO) Benzenemethanol,a-(1-amino-2-methylpropyl)-a-phenyl-, (R)-;(+)-2-Amino-3-methyl-1,1-diphenyl-1-butan...
Properties
Melting Point: 95-99 ºC(lit.)
Flash Point: 210.6 ºC
Boiling Point: 424.7ºC at 760 mmHg
Density:1.074 g/cm3
Refractive index:1.576
Specification:

The (R)-(+)-2-Amino-3-methyl-1,1-diphenyl-1-butanol, with the cas registry number 86695-06-9, has the systematic name of (2R)-2-amino-3-methyl-1,1-diphenylbutan-1-ol. It belongs to the following product categories: Chiral Reagents; Amino Alcohols; Chiral Building Blocks; Organic Building Blocks. And the molecular formula of the chemical is C17H21NO.

The characteristics of this chemical are as followings: (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)Density: 1.074 g/cm3; (13)Flash Point: 210.6 °C; (14)Enthalpy of Vaporization: 71.6 kJ/mol; (15)Boiling Point: 424.7 °C at 760 mmHg; (16)Vapour Pressure: 5.73E-08 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the 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-/m1/s1
(3)InChIKey: LNQVZZGGOZBOQS-MRXNPFEDBT

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

Other Product