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| CAS No.: | 132696-45-8 |
|---|---|
| Name: | (R)-3-(BOC-AMINO)-2-METHYLPROPIONIC ACID |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C9H17NO4 |
| Molecular Weight: | 203.238 |
| Synonyms: | (R)-3-[(tert-Butoxy)carbonyl]amino-2-methylpropanoic acid;Propanoicacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, (R)-;(2R)-3-(tert-Butoxycarbonylamino)-2-methylpropionicacid; |
| Density: | 1.102 g/cm3 |
| Melting Point: | 88 °C(lit.) |
| Boiling Point: | 339.502 °C at 760 mmHg |
| Flash Point: | 159.125 °C |
| PSA: | 75.63000 |
| LogP: | 1.62270 |
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Specification
This chemical is called Boc-R-3-Aminoisobutyric acid, and its systematic name is (2R)-3-[(tert-butoxycarbonyl)amino]-2-methylpropanoic acid. With the molecular formula of C9H17NO4, its product category is N-BOC. The CAS registry number of this chemical is 132696-45-8. Additionally, it should be stored at 2-8°C.
Other characteristics of the Boc-R-3-Aminoisobutyric acid can be summarised as followings: (1)ACD/LogP: 1.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 75.63 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 50.603 cm3; (15)Molar Volume: 184.445 cm3; (16)Polarizability: 20.061×10-24cm3; (17)Surface Tension: 37.747 dyne/cm; (18)Density: 1.102 g/cm3; (19)Flash Point: 159.125 °C; (20)Enthalpy of Vaporization: 64.067 kJ/mol; (21)Boiling Point: 339.502 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)NC[C@H](C(=O)O)C
2.InChI: InChI=1/C9H17NO4/c1-6(7(11)12)5-10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1
3.InChIKey: GDQRNRYMFXDGMS-ZCFIWIBFBJ