CAS No.53292-89-0,BOC-1,4-TRANS-ACHC-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53292-89-0
Name:	BOC-1,4-TRANS-ACHC-OH
Article Data:	10

Formula:	C₁₂H₂₁NO₄
Molecular Weight:	243.303
Synonyms:	trans-4-(tert-Butoxycarbonylamino)cyclohexane-1-carboxylicacid;trans-4-[[[(1,1-Dimethylethyl)oxy]carbonyl]amino]cyclohexanecarboxylic acid;
Density:	1.13 g/cm³
Melting Point:	181.0 to 185.0 °C
Boiling Point:	396.7 °C at 760 mmHg
Flash Point:	193.7 °C
PSA:	75.63000
LogP:	2.54540

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Specification

The Cyclohexanecarboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, trans-, with CAS registry number 53292-89-0, belongs to the following product categories: (1)Alicyclic Amino Acids; (2)Peptide Synthesis; (3)Unnatural Amino Acid Derivatives. It has the systematic name of 4-[(tert-butoxycarbonyl)amino]cyclohexanecarboxylic acid. And the chemical formula of this chemical is C₁₂H₂₁NO₄.

Physical properties of Cyclohexanecarboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, trans-: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): -0.59; (5)ACD/BCF (pH 5.5): 3.22; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 50.58; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 62.68 cm³; (15)Molar Volume: 215.3 cm³; (16)Polarizability: 24.85×10^-24cm³; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.12 g/cm³; (19)Flash Point: 193.7 °C; (20)Enthalpy of Vaporization: 71.01 kJ/mol; (21)Boiling Point: 396.7 °C at 760 mmHg; (22)Vapour Pressure: 2.12E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC1CCC(C(=O)O)CC1
(2)InChI: InChI=1/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-4-8(5-7-9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
(3)InChIKey: KXMRDHPZQHAXML-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-4-8(5-7-9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)
(5)Std. InChIKey: KXMRDHPZQHAXML-UHFFFAOYSA-N