L-Glutamic acid 1-tert-butyl ester supplier

Name
L-Glutamic acid α-tert·butyl ester
EINECS
CAS No. 45120-30-7
Article Data3
CAS DataBase
Density 1.133 g/cm³
Solubility
Melting Point 140 °C
Formula C₉H₁₇NO₄
Boiling Point 326.8 °C at 760 mmHg
Molecular Weight 203.238
Flash Point 151.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Glutamicacid tert-butyl ester;L-Glutamic acid a-tert-butyl ester;a-tert-ButylL-glutamate;H-Glu-OtBu;
PSA 89.62000
LogP 1.22050

L-Glutamic acid 1-tert-butyl ester Specification

The L-Glutamicacid, 1-(1,1-dimethylethyl) ester, with the CAS registry number 45120-30-7, is also known as L-Glutamic acid 1-tert-butyl ester. It belongs to the product categories of Amino Acid tert-Butyl Esters; Amino Acids; Amino Acids (C-Protected) and Biochemistry. This chemical's molecular formula is C₉H₁₇NO₄ and molecular weight is 203.11. What's more, its systematic name is called (4S)-4-Amino-5-tert-butoxy-5-oxopentanoic acid (non-preferred name).

Physical properties about L-Glutamicacid, 1-(1,1-dimethylethyl) ester are: (1) ACD/LogP: 0.77; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.68; (4) ACD/LogD (pH 7.4): -1.74; (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: 55.84 Å²; (13) Index of Refraction: 1.475; (14) Molar Refractivity: 50.54 cm³; (15) Molar Volume: 179.3 cm³; (16) Surface Tension: 42.6 dyne/cm; (17) Density: 1.133 g/cm³; (18) Flash Point: 151.5 °C; (19) Enthalpy of Vaporization: 62.56 kJ/mol; (20) Boiling Point: 326.8 °C at 760 mmHg; (21) Vapour Pressure: 4.2E-05 mmHg at 25 °C; (22) Melting Point: 140 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)[C@@H](N)CCC(=O)O
(2) InChI: InChI=1/C9H17NO4/c1-9(2,3)14-8(13)6(10)4-5-7(11)12/h6H,4-5,10H2,1-3H3,(H,11,12)/t6-/m0/s1
(3) InChIKey: QVAQMUAKTNUNLN-LURJTMIEBM

Product Name

L-Glutamic acid α-tert·butyl ester

L-Glutamic acid 1-tert-butyl ester Specification

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