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| CAS No.: | 69901-75-3 |
|---|---|
| Name: | Cbz-Cyclohexyl-L-glycine |
| Molecular Structure: | |
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| Formula: | C16H21NO4 |
| Molecular Weight: | 291.347 |
| Synonyms: | Cyclohexaneaceticacid, a-[[(phenylmethoxy)carbonyl]amino]-,(S)-;Z-Chg-OH;(2S)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)ethanoic acid;(S)-N-Cbz-Aminocyclohexylacetic acid; |
| Density: | 1.2 g/cm3 |
| Melting Point: | 111-114°C |
| Boiling Point: | 492.1 °C at 760 mmHg |
| Flash Point: | 251.4 °C |
| PSA: | 75.63000 |
| LogP: | 3.33720 |
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Specification
The CAS register number of Cyclohexaneacetic acid,a-[[(phenylmethoxy)carbonyl]amino]-,(aS)- is 69901-75-3. It also can be called as (S)-N-Cbz-Aminocyclohexylacetic acid and the systematic name about this chemical is (2S)-{[(benzyloxy)carbonyl]amino}(cyclohexyl)ethanoic acid. The molecular formula about this chemical is C16H21NO4 and the molecular weight is 291.34. It belongs to the following product categories, such as Chiral; Chiral Reagent and so on.
Physical properties about Cyclohexaneacetic acid,a-[[(phenylmethoxy)carbonyl]amino]-,(aS)- are: (1)ACD/LogP: 3.77; (2)ACD/LogD (pH 5.5): 1.83; (3)ACD/LogD (pH 7.4): 0.28; (4)ACD/BCF (pH 5.5): 4.98; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 30.82; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 55.84Å2; (12)Index of Refraction: 1.552; (13)Molar Refractivity: 77.58 cm3; (14)Molar Volume: 242.6 cm3; (15)Polarizability: 30.75x10-24cm3; (16)Surface Tension: 50.4 dyne/cm; (17)Enthalpy of Vaporization: 79.93 kJ/mol; (18)Boiling Point: 492.1 °C at 760 mmHg; (19)Vapour Pressure: 1.68E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)OCc1ccccc1)C2CCCCC2
(2)InChI: InChI=1/C16H21NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,20)(H,18,19)/t14-/m0/s1
(3)InChIKey: CUSYTUPJAYLNFQ-AWEZNQCLBD
(4)Std. InChI: InChI=1S/C16H21NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,20)(H,18,19)/t14-/m0/s1
(5)Std. InChIKey: CUSYTUPJAYLNFQ-AWEZNQCLSA-N