CAS No.109183-71-3,Boc-L-Cyclohexylglycine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	109183-71-3
Name:	Boc-L-Cyclohexylglycine
Article Data:	13

Formula:	C₁₃H₂₃NO₄
Molecular Weight:	257.33
Synonyms:	Boc-Chg-OH;(2S)-[(tert-Butoxycarbonyl)amino](cyclohexyl)acetic acid;(2S)-[(tert-butoxycarbonyl)amino](cyclohexyl)ethanoic acid;Cyclohexaneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (alphaS)-;(S)-tert-Butoxycarbonylamino-cyclohexyl-acetic acid;Boc-L-α-cyclohexylglycine;N-Boc-2-Cyclohexyl-L-glycine;
Density:	1.111 g/cm³
Melting Point:	83°C(lit.)
Boiling Point:	407.9 °C at 760 mmHg
Flash Point:	200.5 °C
Solubility:	Slightly soluble in water.
Appearance:	白色粉末
Safety:	24/25
PSA:	75.63000
LogP:	2.93550

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Specification

The Boc-L-α-cyclohexylglycine, with the CAS registry number 109183-71-3, is also known as (S)-tert-Butoxycarbonylamino-cyclohexyl-acetic acid. This chemical's molecular formula is C₁₃H₂₃NO₄ and molecular weight is 257.33. What's more, its systematic name is (2S)-[(tert-butoxycarbonyl)amino](cyclohexyl)ethanoic acid. It should be sealed and stored in a cool and dry place. It is necessary to ensure that the workshop has a well ventilated device or an exhaust. What's more, it should be protected from strong oxides.

Physical properties of Boc-L-α-cyclohexylglycine are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24; (4)ACD/LogD (pH 7.4): -0.32; (5)ACD/BCF (pH 5.5): 1.77; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.87; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 66.96 cm³; (15)Molar Volume: 231.5 cm³; (16)Surface Tension: 41.9 dyne/cm; (17)Density: 1.111 g/cm³; (18)Flash Point: 200.5 °C; (19)Enthalpy of Vaporization: 72.39 kJ/mol; (20)Boiling Point: 407.9 °C at 760 mmHg; (21)Vapour Pressure: 8.56E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)C1CCCCC1
(2)InChI: InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)/t10-/m0/s1
(3)InChIKey: QSUXZIPXYDQFCX-JTQLQIEISA-N