1-사이클로헥실-3-(2-(4-모르폴리닐)에틸)카보디이미드

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

HCID 84998CAS 15580-20-8

기본 정보

표준 SMILES: C(=NCCN1CCOCC1)=NC1CCCCC1
InChIKey: XNPOFXIBHOVFFH-UHFFFAOYSA-N
분자식: C13H23N3O
평균 분자량: 237.34 g/mol
단동위원소 질량: 237.18411236

개요

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.

이름 및 식별자

우선 이름: 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide
IUPAC: N'-cyclohexyl-N-(2-morpholin-4-ylethyl)methanediimine
현지명: 1-사이클로헥실-3-(2-(4-모르폴리닐)에틸)카보디이미드
영어명: 1-cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide
분자식: C13H23N3O
분자량: 237.34

이름 및 동의어

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

이름 더 보기

1-사이클로헥실-3-(2-(4-모르폴리닐)에틸)카보디이미드NSC 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 37.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 262

물리화학적 성질

끓는 점: 145 °C · 145 °C(Press: 0.2 Torr)
밀도: 1.12 · 1.12±0.1 g/cm3(Predicted)
용해도: 2 Cl2, · soluble in DMF, CH2Cl2, dioxane, xylene.
산도 계수 (pKa): 6.9 · 6.90±0.10(Predicted)

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 1건

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.