1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide

HCID 84998CAS 15580-20-8

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Grundinformationen

Standard-SMILES: C(=NCCN1CCOCC1)=NC1CCCCC1
InChIKey: XNPOFXIBHOVFFH-UHFFFAOYSA-N
Summenformel: C13H23N3O
Durchschnittliche Molmasse: 237,34 g/mol
Monoisotopische Masse: 237,18411236

Überblick

N-cyclohexyl-N'-(2-(4-morpholinyl)ethyl)carbodiimide is a carbodiimide having cyclcohexyl and 2-(4-morpholinyl)ethyl as the two N-substituents. It has a role as a cross-linking reagent. It is a member of morpholines and a carbodiimide.

Namen und Bezeichner

Bevorzugter Name: 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide
IUPAC: N'-cyclohexyl-N-(2-morpholin-4-ylethyl)methanediimine
Englischer Name: 1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide
Summenformel: C13H23N3O
Molmasse: 237.34

Namen und Synonyme

15580-20-81-Cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide1-CmecCMCT9ZEQ3G48DKNSC-1639861-cyclohexyl-3-(2-morpholinoethyl)carbodiimide4-Morpholineethanamine, N-(cyclohexylcarbonimidoyl)-DTXSID70165973RefChem:907555DTXCID0088464N-cyclohexyl-N'-(2-(4-morpholinyl)ethyl)carbodiimide

Weitere Namen anzeigen

NSC 163986N-(2-Morpholinoethyl)cyclohexanecarboximidamideN-Cyclohexyl-N'-beta-morpholinoethylcarbodiimideCyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide4-Morpholineethanamine,N-(cyclohexylcarbonimidoyl)-1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide (CMC)N'-cyclohexyl-N-(2-morpholin-4-ylethyl)methanediimine

NSC163986N-cyclohexyl-N'-(2-morpholin-4-ylethyl)methanediimineN-cyclohexyl-N'-[2-(morpholin-4-yl)ethyl]carbodiimideN-cyclohexyl-N'-[2-(4-morpholinyl)ethyl]carbodiimidecyclohexyl-3-(2-morpholinoethyl)carbodiimideCMCDUNII-9ZEQ3G48DKNCIStruc1_000802

Datenbank-Bezeichner

CAS: 15580-20-8
PubChem CID: 84998
DTXSID: DTXSID70165973
ChEMBL: CHEMBL1742145
ChEBI: CHEBI:59053
UNII: 9ZEQ3G48DK
Nikkaji: J253.120H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 37,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 17
Formalladung: 0
Komplexität: 262

Physikochemische Eigenschaften

Siedepunkt: 145 °C · 145 °C(Press: 0.2 Torr)
Dichte: 1.12 · 1.12±0.1 g/cm3(Predicted)
Löslichkeit: 2 Cl2, · soluble in DMF, CH2Cl2, dioxane, xylene.
pka: 6.9 · 6.90±0.10(Predicted)

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 1 Eintrag

Reagents with two reactive groups, usually at opposite ends of the molecule, that are capable of reacting with and thereby forming bridges between side chains of amino acids in proteins; the locations of naturally reactive areas within proteins can thereby be identified; may also be used for other macromolecules, like glycoproteins, nucleic acids, or other.