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| CAS No.: | 171866-72-1 |
|---|---|
| Name: | 3-tert-Butyl-L-serine |
| Molecular Structure: | |
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| Formula: | C7H15NO3 |
| Molecular Weight: | 161.20 |
| Synonyms: | L-Leucine,3-hydroxy-4-methyl-, threo-;D-β-t-butylserine; |
| Density: | 1.145 g/cm3 |
| Boiling Point: | 320.3 °C at 760 mmHg |
| Flash Point: | 147.5 °C |
| PSA: | 83.55000 |
| LogP: | 0.50560 |
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Specification
The 3-tert-Butyl-L-serine with cas number 171866-72-1 is also called D-β-t-butylserine. The systematic name is (2S)-2-amino-3-hydroxy-4,4-dimethyl-pentanoic acid. Its molecular formula is C7H15NO3. This chemical belongs to the following product categories: (1)Amino Acid Derivatives; (2)Chiral Reagent; (3)Serine [Ser, S].
The properties of the chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 5; (9)Polar Surface Area: 83.55 ?2; (10)Index of Refraction: 1.494; (11)Molar Refractivity: 40.99 cm3; (12)Molar Volume: 140.6 cm3; (13)Polarizability: 16.25×10-24cm3; (14)Surface Tension: 46.8 dyne/cm; (15)Enthalpy of Vaporization: 65.14 kJ/mol; (16)Vapour Pressure: 2.6×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)C([C@@H](C(=O)O)N)O
(2)InChI: InChI=1/C7H15NO3/c1-7(2,3)5(9)4(8)6(10)11/h4-5,9H,8H2,1-3H3,(H,10,11)/t4-,5?/m0/s1
(3)InChIKey: DREONSBNBZFXLW-ROLXFIACBY