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| CAS No.: | 2418-95-3 |
|---|---|
| Name: | Ne-Boc-L-lysine |
| Molecular Structure: | |
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| Formula: | C11H22N2O4 |
| Molecular Weight: | 246.307 |
| Synonyms: | Lysine,N6-carboxy-, N6-tert-butyl ester, L- (6CI,7CI,8CI);(2S)-2-Amino-6-(tert-butoxycarbonylamino)hexanoic acid;N-w-(tert-Butoxycarbonyl)-L-lysine;Ne-tert-Butoxycarbonyl-L-lysine;e-BOC-L-lysine;H-Lys(Boc)-OH; |
| Density: | 1.113 g/cm3 |
| Melting Point: | 250 °C (dec.)(lit.) |
| Boiling Point: | 412.9 °C at 760 mmHg |
| Flash Point: | 203.5 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | white crystalline powder |
| Safety: | 24/25 |
| PSA: | 101.65000 |
| LogP: | 2.18450 |
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Specification
The L-Lysine,N6-[(1,1-dimethylethoxy)carbonyl]-, with the CAS registry number 2418-95-3, is also known as H-Lys(Boc)-OH and N-epsilon-tert-Butoxycarbonyl-L-lysine. It belongs to the product categories of Amino Acids; Lysine [Lys, K]; Amino Acids and Derivatives; Amino Acids (N-Protected); Biochemistry; Boc-Amino Acids and Boc-Amino Acid Series. This chemical's molecular formula is C11H22N2O4 and molecular weight is 246.30. What's more, its IUPAC name is 2-Amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid and systematic name is called N6-(tert-Butoxycarbonyl)-L-lysine. In addition, it is white crystalline powder.
Physical properties about L-Lysine,N6-[(1,1-dimethylethoxy)carbonyl]- are: (1) ACD/LogP: 0.74; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.76; (4) ACD/LogD (pH 7.4): -1.76; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 6; (10) #H bond donors: 4; (11) #Freely Rotating Bonds: 9; (12) Polar Surface Area: 59.08 Å2; (13) Index of Refraction: 1.485; (14) Molar Refractivity: 63.4 cm3; (15) Molar Volume: 221.1 cm3; (16) Surface Tension: 42.8 dyne/cm; (17) Density: 1.113 g/cm3; (18) Flash Point: 203.5 °C; (19) Enthalpy of Vaporization: 73.02 kJ/mol; (20) Boiling Point: 412.9 °C at 760 mmHg; (21) Vapour Pressure: 5.65E-08 mmHg at 25 °C; (22) Melting Point: 250 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)NCCCC[C@@H](C(=O)O)N
(2) InChI: InChI=1/C11H22N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1
(3) InChIKey: VVQIIIAZJXTLRE-QMMMGPOBBW