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Cas Database |
| Name |
1-Butanol,2-[(phenylmethyl)amino]-, (2R)- |
EINECS | N/A |
| CAS No. | 6257-49-4 | Density | 1.004 g/cm3 |
| PSA | 32.26000 | LogP | 1.93800 |
| Solubility | N/A | Melting Point |
71-72 °C |
| Formula | C11H17NO | Boiling Point | 307.5 °C at 760 mmHg |
| Molecular Weight | 179.262 | Flash Point | 114.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Butanol, 2-[(phenylmethyl)amino]-, (R)-;(R)-(-)-N-Benzyl-2-amino-1-butanol;(R)-2-Benzylamino-1-butanol;(R)-N-Benzyl-2-aminobutanol; |
Article Data | 20 |
1-Butanol,2-[(phenylmethyl)amino]-, (2R)- Specification
The 1-Butanol,2-[(phenylmethyl)amino]-, (2R)-, with the CAS registry number 6257-49-4, is also known as (R)-(-)-2-Benzylamino-1-butanol. This chemical's molecular formula is C11H17NO and molecular weight is 179.26. What's more, its systematic name is called (2R)-2-(Benzylamino)butan-1-ol.
Physical properties about 1-Butanol,2-[(phenylmethyl)amino]-, (2R)- are: (1)ACD/LogP: 2.00; (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: 1.526; (8)Molar Refractivity: 54.78 cm3; (9)Molar Volume: 178.4 cm3; (10)Surface Tension: 38.7 dyne/cm; (11)Density: 1.004 g/cm3; (12)Flash Point: 114.8 °C; (13)Enthalpy of Vaporization: 57.87 kJ/mol; (14)Boiling Point: 307.5 °C at 760 mmHg; (15)Vapour Pressure: 0.000314 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC[C@H](NCc1ccccc1)CC
(2) InChI: InChI=1/C11H17NO/c1-2-11(9-13)12-8-10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t11-/m1/s1
(3) InChIKey: PGFBTQBTIYCCFJ-LLVKDONJBQ
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