CAS 15580-20-8 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide (HCID 84998)

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Basic information

CAS: 15580-20-8
Standard SMILES: C(=NCCN1CCOCC1)=NC1CCCCC1
InChIKey: XNPOFXIBHOVFFH-UHFFFAOYSA-N
Molecular formula: C13H23N3O
Average molar mass: 237.34 g/mol
Monoisotopic mass: 237.18411236

Overview

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.

Names & identifiers

Preferred name: 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide
IUPAC: N'-cyclohexyl-N-(2-morpholin-4-ylethyl)methanediimine
English name: 1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide
Molecular formula: C13H23N3O
Molecular weight: 237.34

Names & synonyms

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

Show more names

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

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 37.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 262

Physicochemical properties

Boiling point: 145 °C · 145 °C(Press: 0.2 Torr)
Density: 1.12 · 1.12±0.1 g/cm3(Predicted)
solubility: 2 Cl2, · soluble in DMF, CH2Cl2, dioxane, xylene.
pka: 6.9 · 6.90±0.10(Predicted)
FDA UNII: 9 ZEQ3G48DK · 9ZEQ3G48DK

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 1 item

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.