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381241-08-3
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Basic Information
CAS No.: 381241-08-3
Name: FMOC-1,2-TRANS-ACHC-OH
Molecular Structure:
Molecular Structure of 381241-08-3 (FMOC-1,2-TRANS-ACHC-OH)
Formula: C22H23NO4
Molecular Weight: 365.42
Synonyms: (1R,2R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)cyclohexanecarboxylic acid;(1R,2R)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}cyclohexanecarboxylic acid;Fmoc-1,2-trans-ACHC-OH;trans-2-(9 H-Fluoren-9-ylmethoxycarbonylamino)-cyclohexanecarboxylic acid;trans-2-(Fmoc-amino)-cyclohexanecarboxylic acid;
Density: 1.29 g/cm3
Boiling Point: 596.9 °C at 760 mmHg
Flash Point: 314.8 °C
PSA: 75.63000
LogP: 4.55940
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Specification

The Cyclohexanecarboxylicacid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (1R,2R)-rel-, with the CAS registry number 381241-08-3, is also known as (1R,2R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)cyclohexanecarboxylic acid. This chemical's molecular formula is C22H23NO4 and molecular weight is 365.42. What's more, its systematic name is (1R,2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}cyclohexanecarboxylic acid. Its storage temperature is 2-8 °C.

Physical properties of Cyclohexanecarboxylicacid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (1R,2R)-rel- are: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.85; (4)ACD/LogD (pH 7.4): 2.08; (5)ACD/BCF (pH 5.5): 349.35; (6)ACD/BCF (pH 7.4): 5.98; (7)ACD/KOC (pH 5.5): 1522.27; (8)ACD/KOC (pH 7.4): 26.04; (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: 1.634; (14)Molar Refractivity: 100.76 cm3; (15)Molar Volume: 281.7 cm3; (16)Polarizability: 39.94×10-24 cm3; (17)Surface Tension: 60.3 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 314.8 °C; (20)Enthalpy of Vaporization: 93.51 kJ/mol; (21)Boiling Point: 596.9 °C at 760 mmHg; (22)Vapour Pressure: 4.27E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(O)[C@@H]4CCCC[C@H]4NC(=O)OCC3c1ccccc1c2c3cccc2
(2)InChI: InChI=1/C22H23NO4/c24-21(25)18-11-5-6-12-20(18)23-22(26)27-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-4,7-10,18-20H,5-6,11-13H2,(H,23,26)(H,24,25)/t18-,20-/m1/s1
(3)InChIKey: NZMNDTGOODAUNI-UYAOXDASBP