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| CAS No.: | 59531-86-1 |
|---|---|
| Name: | D-Alanine tert-butyl ester hydrochloride |
| Molecular Structure: | |
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| Formula: | C7H15NO2.HCl |
| Molecular Weight: | 181.663 |
| Synonyms: | D-Alanine,1,1-dimethylethyl ester, hydrochloride (9CI);(R)-Alanine tert-butyl esterhydrochloride;D-Alanine tert-butyl ester hydrochloride;tert-Butyl(R)-2-aminopropanoate hydrochloride;tert-Butyl D-alaninate hydrochloride;H-D-Ala-OtBu.HCl; |
| EINECS: | 611-847-6 |
| Melting Point: | 170-175 °C |
| Boiling Point: | 206.8 °C at 760 mmHg |
| Flash Point: | 78.9 °C |
| Solubility: | Soluble in water |
| Safety: | 24/25 |
| PSA: | 52.32000 |
| LogP: | 2.17760 |
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Specification
The CAS register number of D-Alanine tert-butyl ester hydrochloride is 59531-86-1. It also can be called as 2-Methyl-2-propanyl D-alaninate hydrochloride and the systematic name about this chemical is tert-butyl D-alaninate hydrochloride. The molecular formula about this chemical is C7H15NO2.HCl and the molecular weight is 181.66. It belongs to the following product categories, such as Alanine [Ala, A]; Amino Acids and Derivatives; Amino Acid tert-Butyl Esters; Amino Acids; Amino Acids (C-Protected); Biochemistry; Amino Acid Derivatives; Amino hydrochloride; Alanine; Peptide Synthesis and so on.
Physical properties about D-Alanine tert-butyl ester hydrochloride are: (1)ACD/LogP: 0.74; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 29.54Å2; (6)Flash Point: 78.9 °C; (7)Enthalpy of Vaporization: 45.21 kJ/mol; (8)Boiling Point: 206.8 °C at 760 mmHg; (9)Vapour Pressure: 0.195 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)[C@H](N)C.Cl
(2)InChI: InChI=1/C7H15NO2.ClH/c1-5(8)6(9)10-7(2,3)4;/h5H,8H2,1-4H3;1H/t5-;/m1./s1
(3)InChIKey: WIQIWPPQGWGVHD-NUBCRITNBG
(4)Std. InChI: InChI=1S/C7H15NO2.ClH/c1-5(8)6(9)10-7(2,3)4;/h5H,8H2,1-4H3;1H/t5-;/m1./s1
(5)Std. InChIKey: WIQIWPPQGWGVHD-NUBCRITNSA-N