(S)-2-tert-Butoxycarbonylamino-3-cyclohexylpropionic acid supplier

Name
BOC-BETA-CYCLOHEXYL-ALA-OH
EINECS 1308068-626-2
CAS No. 37736-82-6
Article Data17
CAS DataBase
Density 1.084 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₅NO₄
Boiling Point 420.432 °C at 760 mmHg
Molecular Weight 271.357
Flash Point 208.07 °C
Transport Information
Appearance White crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 75.63000
LogP 3.32560

(S)-2-tert-Butoxycarbonylamino-3-cyclohexylpropionic acid Specification

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

Product Name

BOC-BETA-CYCLOHEXYL-ALA-OH

(S)-2-tert-Butoxycarbonylamino-3-cyclohexylpropionic acid Specification

Related Products

Hot Products