N-シクロヘキシル-N'-(2-モルホリノエチル)カルボジイミド

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

HCID 84998CAS 15580-20-8

基本情報

標準SMILES: C(=NCCN1CCOCC1)=NC1CCCCC1
InChIKey: XNPOFXIBHOVFFH-UHFFFAOYSA-N
分子式: C13H23N3O
平均分子量: 237.34 g/mol
単同位体質量: 237.18411236

概要

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.

名称と識別子

優先名称: 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide
IUPAC: N'-cyclohexyl-N-(2-morpholin-4-ylethyl)methanediimine
現地名: N-シクロヘキシル-N'-(2-モルホリノエチル)カルボジイミド
英語名: 1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide
分子式: C13H23N3O
分子量: 237.34

名称と別名

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

名称をさらに表示

1-シクロヘキシル-3-(2-モルホリノエチル)カルボジイミドN-シクロヘキシル-N'-(2-モルホリノエチル)カルボジイミド1-シクロヘキシル-3-(2-(4-モルホリニル)エチル)カルボジイミド[(シクロヘキシルイミノ)メチリデン][2-(モルホリン-4-イル)エチル]アミンN-シクロヘキシル-N′-(2-モルホリノエチル)カルボジイミド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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.6
極性表面積: 37.2 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 262

物理化学的性質

沸点: 145 °C · 145 °C(Press: 0.2 Torr)
比重(密度): 1.12 · 1.12±0.1 g/cm3(Predicted)
溶解性: 2 Cl2, · soluble in DMF, CH2Cl2, dioxane, xylene.
酸解離定数(Pka): 6.9 · 6.90±0.10(Predicted)

化学と産業

薬理情報

MeSH Pharmacological Classification · 1 件

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.