Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
cis-4-(tert-Butoxycarbonylamino)cyclohexanecarboxylic acid |
EINECS | N/A |
CAS No. | 53292-89-0 | Density | 1.13 g/cm3 |
PSA | 75.63000 | LogP | 2.54540 |
Solubility | N/A | Melting Point |
181.0 to 185.0 °C |
Formula | C12H21NO4 | Boiling Point | 396.7 °C at 760 mmHg |
Molecular Weight | 243.303 | Flash Point | 193.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
trans-4-(tert-Butoxycarbonylamino)cyclohexane-1-carboxylicacid;trans-4-[[[(1,1-Dimethylethyl)oxy]carbonyl]amino]cyclohexanecarboxylic acid; |
Article Data | 10 |
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