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| CAS No.: | 34306-42-8 |
|---|---|
| Name: | BOC-ABU-OH |
| Article Data: | 29 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C9H17NO4 |
| Molecular Weight: | 203.238 |
| Synonyms: | Butanoicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (S)-;Butyric acid,2-(carboxyamino)-, N-tert-butyl ester, L- (8CI);(2S)-2-(tert-Butoxycarbonylamino)butanoic acid;(2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid;(S)-2-(((tert-Butoxy)carbonyl)amino)butanoic acid;(S)-2-(tert-Butoxycarbonylamino)butyric acid;2-(2S)-[(tert-Butoxycarbonyl)amino]butyricacid;BOC-L-a-Aminobutyricacid;N-(tert-Butoxycarbonyl) 2(S)-aminobutyric acid;N-tert-Butoxycarbonyl-L-a-aminobutanoic acid;NSC 335382; |
| EINECS: | 696-164-1 |
| Density: | 1.101 g/cm3 |
| Melting Point: | 70-74 °C |
| Boiling Point: | 334.5 °C at 760mmHg |
| Flash Point: | 156.1 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | White powder |
| Risk Codes: | 36/37/38 |
| Safety: | 4-7-28-35-44 |
| PSA: | 75.63000 |
| LogP: | 1.76520 |
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Specification
The Boc-L-2-aminobutyric acid is an organic compound with the formula C9H17NO4. The IUPAC name of this product is 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid. With the CAS registry number 34306-42-8, it is also named as 2-[(tert-Butoxycarbonyl)amino]butanoic acid; butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-; Boc-Abu-OH. It is a kind of amino acids. This product is white powder which must be stored at the temperature of 0-5°C and avoid direct sunshine.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.33; (4)ACD/LogD (pH 7.4): -1.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.02; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.46; (13)Molar Refractivity: 50.6 cm3; (14)Molar Volume: 184.4 cm3; (15)Polarizability: 20.06×10-24 cm3; (16)Surface Tension: 37.7 dyne/cm; (17)Enthalpy of Vaporization: 63.47 kJ/mol; (18)Vapour Pressure: 2.42E-05 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Tautomer Count: 2; (21)Exact Mass: 203.115758; (22)MonoIsotopic Mass: 203.115758; (23)Topological Polar Surface Area: 75.6; (24)Heavy Atom Count: 14; (25)Complexity: 219.
People can use the following data to convert to the molecule structure. SMILES: O=C(OC(C)(C)C)NC(C(=O)O)CC; InChI: InChI=1/C9H17NO4/c1-5-6(7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12). Boc-L-2-aminobutyric acid has many suppliers, such as GL Biochem (Shanghai) Ltd., Sichuan Goldentree Bio-pharmaceutical Co., Ltd. and Zhenjiang Xinhe Biotech Co., Ltd.. The price of this product changes with the market.