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N-Boc-L-cyclohexylglycinol

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Name

N-Boc-L-cyclohexylglycinol

EINECS N/A
CAS No. 107202-39-1 Density 1.037 g/cm3
PSA 58.56000 LogP 2.84320
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 N/A Appearance N/A
Safety 26 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 107202-39-1 (N-Boc-L-cyclohexylglycinol) Hazard Symbols HarmfulXn
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;

Article Data 6

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

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