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CAS No.: | 37736-82-6 |
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Name: | BOC-BETA-CYCLOHEXYL-ALA-OH |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C14H25NO4 |
Molecular Weight: | 271.357 |
Synonyms: | Cyclohexanepropanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(S)-;(2S)-2-[(tert-Butoxycarbonyl)amino]-3-cyclohexylpropionic acid;(aS)-a-[[(1,1-dimethylethoxy)carbonyl]amino]cyclohexanepropanoicacid;2-[(tert-Butoxycarbonyl)amino]-(S)-3-cyclohexylpropionic acid;N-(tert-Butoxycarbonyl)-L-cyclohexylalanine;N-(tert-Butyloxycarbonyl)-L-cyclohexylalanine;(S)-2-tert-Butoxycarbonylamino-3-cyclohexylpropionic acid;cyclohexanepropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (alphaS)-;(2S)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;Boc-β-cyclohexyl-ala-OH;Boc-hexahydro-L-phenylalanine;Boc-Cha-OH hydrate; |
EINECS: | 1308068-626-2 |
Density: | 1.084 g/cm3 |
Boiling Point: | 420.432 °C at 760 mmHg |
Flash Point: | 208.07 °C |
Appearance: | White crystalline powder |
PSA: | 75.63000 |
LogP: | 3.32560 |
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The Boc-L-cyclohexylalanine, with the CAS registry number 37736-82-6, has the systematic name of N-(tert-butoxycarbonyl)-3-cyclohexyl-L-alanine. It is a kind of white crystalline powder, and belongs to the following product categories: Pharmacetical; Amino Acids; Peptide. And the molecular formula of the chemical is C14H25NO4.
The characteristics of Boc-L-cyclohexylalanine are as followings: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 75.63 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 71.653 cm3; (15)Molar Volume: 250.415 cm3; (16)Polarizability: 28.405×10-24cm3; (17)Surface Tension: 40.07 dyne/cm; (18)Density: 1.084 g/cm3; (19)Flash Point: 208.07 °C; (20)Enthalpy of Vaporization: 73.963 kJ/mol; (21)Boiling Point: 420.432 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)CC1CCCCC1
(2)InChI: InChI=1/C14H25NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m0/s1
(3)InChIKey: MSZQAQJBXGTSHP-NSHDSACABI