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| CAS No.: | 39741-62-3 |
|---|---|
| Name: | H-GLN-OTBU HCL |
| Molecular Structure: | |
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| Formula: | C9H19ClN2O3 |
| Molecular Weight: | 238.71 |
| Synonyms: | L-Glutamine,1,1-dimethylethyl ester, monohydrochloride (9CI);L-Glutamine t-butyl ester hydrochloride;tert-Butyl(2S)-2,5-diamino-5-oxopentanoate hydrochloride; |
| Density: | 1.09g/cm3 |
| Melting Point: | 149 °C (decomp) |
| Boiling Point: | 388.5 °C at 760 mmHg |
| Flash Point: | 188.8 °C |
| Solubility: | Soluble 0.3gram in 2ml water clear solution. |
| PSA: | 95.41000 |
| LogP: | 2.12350 |
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Specification
The L-Glutamine tert-butyl ester hydrochloride, with the CAS registry number 39741-62-3, is also known as L-Glutamine, 1,1-dimethylethyl ester, hydrochloride (1:1). It belongs to the product categories of Amino Acids Derivatives; Glutamine [Gln, Q]; Amino Acids and Derivatives; Amino Acid Derivatives; A - H; Amino Acids and Modified Amino Acids. This chemical's molecular formula is C9H19ClN2O3 and molecular weight is 238.71. What's more, its systematic name is called tert-Butyl L-glutaminate hydrochloride.
Physical properties about L-Glutamine tert-butyl ester hydrochloride are: (1) # of Rule of 5 Violations: 0; (2) #H bond acceptors: 5; (3) #H bond donors: 4; (4) #Freely Rotating Bonds: 7; (5) Polar Surface Area: 95.41 Å2; (6) Flash Point: 188.8 °C; (7) Enthalpy of Vaporization: 65.02 kJ/mol; (8) Boiling Point: 388.5 °C at 760 mmHg; (9) Vapour Pressure: 2.04E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N[C@@H](CCC(N)=O)C(=O)OC(C)(C)C.Cl
(2) InChI: InChI=1/C9H18N2O3.ClH/c1-9(2,3)14-8(13)6(10)4-5-7(11)12;/h6H,4-5,10H2,1-3H3,(H2,11,12);1H/t6-;/m0./s1
(3) InChIKey: ZEPNUNKDKQACNC-RGMNGODLBM