N-Boc-L-cyclohexylglycinol supplier

Name
N-Boc-L-cyclohexylglycinol
EINECS
CAS No. 107202-39-1
Article Data6
CAS DataBase
Density 1.037 g/cm³
Solubility 66.35 mg/L in water at 25 ºC
Melting Point 83-87 ºC
Formula C₁₃H₂₅NO₃
Boiling Point 371.2 ºC at 760 mmHg
Molecular Weight 243.346
Flash Point 178.3 ºC
Transport Information
Appearance
Safety 26
Risk Codes 20/21/22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms Carbamicacid, (1-cyclohexyl-2-hydroxyethyl)-, 1,1-dimethylethyl ester, (S)-;Carbamicacid, [(1S)-1-cyclohexyl-2-hydroxyethyl]-, 1,1-dimethylethyl ester (9CI);tert-Butyl [(1S)-1-cyclohexyl-2-hydroxyethyl]carbamate;(S)-2-(tert-Butoxycarbonylamino)-2-cyclohexylethanol;Carbamic acid,N-[(1S)-1-cyclohexyl-2-hydroxyethyl]-, 1,1-dimethylethyl ester;
PSA 58.56000
LogP 2.84320

N-Boc-L-cyclohexylglycinol Specification

The N-Boc-L-cyclohexylglycinol, with the CAS registry number 107202-39-1, is also known as (S)-2-(tert-Butoxycarbonylamino)-2-cyclohexylethanol. It belongs to the product categories of Amino Acid Derivatives; Amino Alcohols; Peptide Synthesis. This chemical's molecular formula is C₁₃H₂₅NO₃ and molecular weight is 243.34. What's more, its systematic name is tert-butyl [(1S)-1-cyclohexyl-2-hydroxyethyl]carbamate. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxides.

Physical properties of N-Boc-L-cyclohexylglycinol are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/BCF (pH 5.5): 93.4; (5)ACD/KOC (pH 5.5): 895.36; (6)ACD/KOC (pH 7.4): 895.33; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 38.77 Å²; (11)Index of Refraction: 1.482; (12)Molar Refractivity: 66.93 cm³; (13)Molar Volume: 234.4 cm³; (14)Surface Tension: 38.5 dyne/cm; (15)Density: 1.037 g/cm³; (16)Flash Point: 178.3 °C; (17)Enthalpy of Vaporization: 71.53 kJ/mol; (18)Boiling Point: 371.2 °C at 760 mmHg; (19)Vapour Pressure: 5.05E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](CO)C1CCCCC1
(2)InChI: InChI=1S/C13H25NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h10-11,15H,4-9H2,1-3H3,(H,14,16)/t11-/m1/s1
(3)InChIKey: YNBRORWNNGUYQA-LLVKDONJSA-N

Product Name

N-Boc-L-cyclohexylglycinol

N-Boc-L-cyclohexylglycinol Specification

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