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| CAS No.: | 51096-49-2 |
|---|---|
| Name: | (S)-(+)-2-Benzylamino-1-phenylethanol |
| Article Data: | 66 |
| Molecular Structure: | |
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| Formula: | C15H17NO |
| Molecular Weight: | 227.306 |
| Synonyms: | (S)-2-Benzylamino-1-phenyl-ethanol; |
| Density: | 1.1 g/cm3 |
| Melting Point: | 115-118 °C(lit.) |
| Boiling Point: | 375.2 °C at 760 mmHg |
| Flash Point: | 127.3 °C |
| Hazard Symbols: |
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 32.26000 |
| LogP: | 2.90070 |
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Specification
The (S)-(+)-2-Benzylamino-1-phenylethanol, with the CAS registry number of 51096-49-2, is also known as (S)-2-Benzylamino-1-phenyl-ethanol. It belongs to the product categories of Amino Alcohols; Chiral Building Blocks; Organic Building Blocks. This chemical's molecular formula is C15H17NO and molecular weight is 227.3. What's more, its systematic name is (1S)-2-(Benzylamino)-1-phenylethanol. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the (S)-(+)-2-Benzylamino-1-phenylethanol are: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.593; (8)Molar Refractivity: 70.05 cm3; (9)Molar Volume: 206.5 cm3; (10)Surface Tension: 46.4 dyne/cm; (11)Density: 1.1 g/cm3; (12)Flash Point: 127.3 °C; (13)Enthalpy of Vaporization: 65.69 kJ/mol; (14)Boiling Point: 375.2 °C at 760 mmHg; (15)Vapour Pressure: 2.69E-06 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1) SMILES:O[C@@H](c1ccccc1)CNCc2ccccc2
(2) InChI:InChI=1/C15H17NO/c17-15(14-9-5-2-6-10-14)12-16-11-13-7-3-1-4-8-13/h1-10,15-17H,11-12H2/t15-/m1/s1
(3) InChIKey:XAOCLQUZOIZSHV-OAHLLOKOBR