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Name |
(1S,3R)-3-[[(tert-Butoxy)carbonyl]amino]cyclohexanecarboxylic acid |
EINECS | N/A |
CAS No. | 222530-34-9 | Density | 1.12 |
PSA | 75.63000 | LogP | 2.54540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H21 N O4 | Boiling Point | 396.7oC at 760 mmHg |
Molecular Weight | 243.303 | Flash Point | 193.7oC |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(1S,3R)-3-((tert-butoxycarbonyl)amino)cyclohexanecarboxylic acid; |
Article Data | 6 |
Molecular Structure of (1S,3R)-3-[[(tert-Butoxy)carbonyl]amino]cyclohexanecarboxylic acid (CAS NO.222530-34-9):
Systematic Name: (1R,3S)-3-[(tert-Butoxycarbonyl)amino]cyclohexanecarboxylic acid
Molecular Formula: C12H21NO4
Molecular Weight: 243.30
Mol File: 222530-34-9.mol
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 4
Nominal Mass: 243
Average Mass: 243.2994
Monoisotopic Mass: 243.147058
Index of Refraction: 1.493
Molar Refractivity: 62.68 cm3
Molar Volume: 215.3 cm3
Surface Tension: 42.3 dyne/cm
Density: 1.12 g/cm3
Flash Point: 193.7 °C
Enthalpy of Vaporization: 71.01 kJ/mol
Boiling Point: 396.7 °C at 760 mmHg
Vapour Pressure: 2.12E-07 mmHg at 25 °C
SMILES: O=C(OC(C)(C)C)N[C@@H]1C[C@H](C(=O)O)CCC1
InChI: InChI=1/C12H21NO4/c1-12(2,3)17-11(16)13-9-6-4-5-8(7-9)10(14)15/h8-9H,4-7H2,1-3H3,(H,13,16)(H,14,15)/t8-,9+/m1/s1
InChIKey: JSGHMGKJNZTKGF-BDAKNGLRBO
(1S,3R)-3-[[(tert-Butoxy)carbonyl]amino]cyclohexanecarboxylic acid (CAS NO.222530-34-9), its Synonyms are Cyclohexanecarboxylicacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, (1S,3R)- ; Cis-(1S,3R)-(T-butyloxycarbonylamino)-cyclohexyl-carboxylic acid ; (1R,3S)-3-(tert-butoxycarbonylamino)cyclohexanecarboxylic acid .