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| CAS No.: | 112245-09-7 |
|---|---|
| Name: | (R)-tert-Leucinol |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C6H15NO |
| Molecular Weight: | 117.191 |
| Synonyms: | 1-Butanol,2-amino-3,3-dimethyl-, (R)-;(R)-2-Amino-3,3-dimethylbutan-1-ol;(R)-tert-Leucinol; |
| Density: | 0.907 g/cm3 |
| Melting Point: | 30-33 °C(lit.) |
| Boiling Point: | 198.481 °C at 760 mmHg |
| Flash Point: | 73.839 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 46.25000 |
| LogP: | 1.05240 |
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Specification
The 1-Butanol,2-amino-3,3-dimethyl-, (2R)-, with its CAS registry number 112245-09-7, has the systematic name of (2R)-2-amino-3,3-dimethylbutan-1-ol. And it has the molecular formula of C6H15NO and molecular weight of 117.19. When store it, you should keep it in the cool, dry and well-ventilated place, and this chemical will not decompose if follow the using and storage specifications.
The characteristics of 1-Butanol,2-amino-3,3-dimethyl-, (2R)- are as follows: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 12.47; (7)Index of Refraction: 1.451; (8)Molar Refractivity: 34.84 cm3; (9)Molar Volume: 129.1 cm3; (10)Polarizability: 13.81×10-24 cm3; (11)Surface Tension: 32.7 dyne/cm; (12)Density: 0.907 g/cm3; (13)Flash Point: 73.8 °C; (14)Enthalpy of Vaporization: 50.58 kJ/mol; (15)Boiling Point: 198.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0906 mmHg at 25°C.
When you are dealing with this chemical, you should be careful. For being irritating to eyes, respiratory system and skin, this chemical may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:OC[C@H](N)C(C)(C)C
(2)InChI:InChI=1/C6H15NO/c1-6(2,3)5(7)4-8/h5,8H,4,7H2,1-3H3/t5-/m0/s1
(3)InChIKey:JBULSURVMXPBNA-YFKPBYRVBK
(4)Std. InChI:InChI=1S/C6H15NO/c1-6(2,3)5(7)4-8/h5,8H,4,7H2,1-3H3/t5-/m0/s1
(5)Std. InChIKey:JBULSURVMXPBNA-YFKPBYRVSA-N