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| CAS No.: | 190897-47-3 |
|---|---|
| Name: | (S)-3-(BOC-AMINO)-2-METHYLPROPIONIC ACID |
| Molecular Structure: | |
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| Formula: | C9H17NO4 |
| Molecular Weight: | 203.238 |
| Synonyms: | Propanoicacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-, (S)-;(S)-3-(tert-Butoxycarbonylamino)-2-methylpropionicacid;(2S)-3-[(tert-butoxycarbonyl)amino]-2-methylpropanoic acid; |
| 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-S-3-Aminoisobutyric acid, and it's also named as (S)-3-(Boc-amino)-2-methylpropionic acid. With the molecular formula of C9H17NO4, its product category is N-BOC. The CAS registry number of this chemical is 190897-47-3. Additionally, this chemical should be sealed in the cool and dry place where the temperature is 2-8 °C. Keep it away from oxides.
Other characteristics of the Boc-S-3-Aminoisobutyric acid can be summarised as followings: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.17; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 75.63 Å2; (12)Index of Refraction: 1.46; (13)Molar Refractivity: 50.6 cm3; (14)Molar Volume: 184.4 cm3; (15)Polarizability: 20.06×10-24cm3; (16)Surface Tension: 37.7 dyne/cm; (17)Density: 1.101 g/cm3; (18)Flash Point: 159.1 °C; (19)Enthalpy of Vaporization: 64.07 kJ/mol; (20)Boiling Point: 339.5 °C at 760 mmHg; (21)Vapour Pressure: 1.69E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)OC(=O)NC[C@H](C)C(O)=O
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-/m0/s1
3.InChIKey: GDQRNRYMFXDGMS-LURJTMIEBH