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CAS No.: | 2419-56-9 |
---|---|
Name: | L-Glutamic acid 5-tert-butyl ester |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C9H17NO4 |
Molecular Weight: | 203.238 |
Synonyms: | Glutamicacid, 5-tert-butyl ester (7CI);Glutamic acid, 5-tert-butyl ester, L- (8CI);Glutamic acid g-tert-butylester;L-Glutamic acid 5-tert-butyl ester;L-Glutamic acid g-tert-butyl ester;g-tert-Butyl glutamate; |
EINECS: | 247-005-6 |
Density: | 1.133 g/cm3 |
Melting Point: | 182°C(lit.) |
Boiling Point: | 336.4 °C at 760 mmHg |
Flash Point: | 157.3 °C |
Solubility: | Sparingly soluble in water; practically insoluble in ethanol or ether. |
Risk Codes: | 22-24 |
Safety: | 22-24/25 |
PSA: | 89.62000 |
LogP: | 1.22050 |
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The L-Glutamic acid 5-tert-butyl ester, with the CAS registry number 2419-56-9, is also known as Glutamic acid g-tert-butylester. It belongs to the product categories of Amino Acids; Glutamic Acid [Glu, E]; Amino Acids and Derivatives; Amino Acid Derivatives; Glutamic Acid and Peptide Synthesis. Its EINECS registry number is 247-005-6. This chemical's molecular formula is C9H17NO4 and molecular weight is 203.24. What's more, its systematic name is called (2S)-2-Ammonio-5-tert-butoxy-5-oxopentanoate.
Physical properties about L-Glutamic acid 5-tert-butyl ester are:(1)ACD/LogP: 1.04 ; (2) # of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -1.46 ; (4) ACD/LogD (pH 7.4): -1.47 ; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1 ; (9) #H bond acceptors: 5; (10) #H bond donors: 3; (11)#Freely Rotating Bonds: 7; (12) Polar Surface Area: 63.6 Å2; (13) Index of Refraction: 1.475; (14) Molar Refractivity: 50.54 cm3; (15) Molar Volume: 179.3 cm3; (16) Polarizability: 20.03×10-24cm3; (17) Surface Tension: 42.6 dyne/cm; (18) Density: 1.133 g/cm3; (19) Flash Point: 157.3 °C; (20) Enthalpy of Vaporization: 63.7 kJ/mol; (21) Boiling Point: 336.4 °C at 760 mmHg; (22) Vapour Pressure: 2.11E-05 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. The gas of this chemical can not be breathed. In addition, you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)CC[C@@H](C([O-])=O)[NH3+]
(2) InChI: InChI=1/C9H17NO4/c1-9(2,3)14-7(11)5-4-6(10)8(12)13/h6H,4-5,10H2,1-3H3,(H,12,13)/t6-/m0/s1
(3) InChIKey: OIOAKXPMBIZAHL-LURJTMIEBE