CAS No.69901-85-5,Z-D-CHG-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	69901-85-5
Name:	Z-D-CHG-OH
Article Data:	2

Formula:	C₁₆H₂₁NO₄
Molecular Weight:	291.347
Synonyms:	Cyclohexaneaceticacid, a-[[(phenylmethoxy)carbonyl]amino]-,(R)-;(2S)-{[(Benzyloxy)carbonyl]amino}(cyclohexyl)acetic acid;
Density:	1.2 g/cm³
Melting Point:	103℃
Boiling Point:	492.1 °C at 760 mmHg
Flash Point:	251.4 °C
PSA:	79.12000
LogP:	3.15070

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Specification

The CAS register number of (2S)-{[(Benzyloxy)carbonyl]amino}(cyclohexyl)acetic acid is 69901-85-5. It also can be called as Cyclohexaneacetic acid,a-[[(phenylmethoxy)carbonyl]amino]-,(aR)- 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.

Physical properties about (2S)-{[(Benzyloxy)carbonyl]amino}(cyclohexyl)acetic acid 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