N-Cyclohexyl-N'-(2-morpholinoethyl)carbodiimide methyl-p-toluenesulfonate - CAS 2491-17-0
Catalog: |
BB018658 |
Product Name: |
N-Cyclohexyl-N'-(2-morpholinoethyl)carbodiimide methyl-p-toluenesulfonate |
CAS: |
2491-17-0 |
Synonyms: |
N'-cyclohexyl-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]methanediimine;4-methylbenzenesulfonate; 1-cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate; MORPHO CDI; CMCT; 4-methylbenzenesulfonicacid(1:1); CHM; 3-(2-morpholinoethyl)carbodiimide methyl-p-toluenesulfonate; cme-carbodiimide; N-Cyclohexyl-N'-(β-[N-methylmorpholino]ethyl)carbodiimide p-toluenesulfonate; CMC METHO-P-TOLUENESULFONATE; CME-CARBODIIMIDE; NSC231596 |
IUPAC Name: | 4-(2-(((cyclohexylimino)methylene)amino)ethyl)-4-methylmorpholin-4-ium 4-methylbenzenesulfonate |
Description: | N-Cyclohexyl-N'-(2-morpholinoethyl)carbodiimide methyl-p-toluenesulfonate (CAS# 2491-17-0) is a useful research chemical. |
Molecular Weight: | 423.57 |
Molecular Formula: | C14H26N3O · C7H7O3S |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCOCC1)CCN=C=NC2CCCCC2 |
InChI: | InChI=1S/C14H26N3O.C7H8O3S/c1-17(9-11-18-12-10-17)8-7-15-13-16-14-5-3-2-4-6-14;1-6-2-4-7(5-3-6)11(8,9)10/h14H,2-12H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 |
InChI Key: | GBCAVSYHPPARHX-UHFFFAOYSA-M |
Melting Point: | 115-120 °C |
Purity: | 95 % |
Density: | 1.130 g/cm3 (Predicted) |
Solubility: | Soluble in hot Benzene |
Appearance: | White to slightly yellow powder |
Storage: | -20 °C |
MDL: | MFCD00011979 |
LogP: | 3.90850 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021073185-A | Its use in novel conjugates and specific conjugation of biomolecules with drugs | 20201224 |
JP-2021006531-A | Cross-linked conjugate for conjugation of cell-binding molecules | 20200901 |
WO-2021162637-A1 | A method of determining a structure of ribonucleic acid molecules and related kits | 20200210 |
JP-2020063254-A | Specific conjugates of cell-binding molecules | 20191122 |
WO-2021000067-A1 | Cell-binding molecule-tubulysin derivative conjugate and preparation method therefor | 20190629 |
PMID | Publication Date | Title | Journal |
22192063 | 20120125 | Automated RNA structure prediction uncovers a kink-turn linker in double glycine riboswitches | Journal of the American Chemical Society |
21953190 | 20110801 | Mass spectrometry-based quantification of pseudouridine in RNA | Journal of the American Society for Mass Spectrometry |
21336730 | 20110201 | Application of decellularized scaffold combined with loaded nanoparticles for heart valve tissue engineering in vitro | Journal of Huazhong University of Science and Technology. Medical sciences = Hua zhong ke ji da xue xue bao. Yi xue Ying De wen ban = Huazhong keji daxue xuebao. Yixue Yingdewen ban |
18973194 | 20081201 | Matrix-assisted laser desorption/ionization mass spectrometry screening for pseudouridine in mixtures of small RNAs by chemical derivatization, RNase digestion and signature products | Rapid communications in mass spectrometry : RCM |
15494143 | 20041115 | Toward multiplexing the application of solvent accessibility probes for the investigation of RNA three-dimensional structures by electrospray ionization-Fourier transform mass spectrometry | Analytical biochemistry |
Complexity: | 491 |
Compound Is Canonicalized: | No |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 423.21917772 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 423.21917772 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 99.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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