1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate

HCID 17220

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 102292-00-2
표준 SMILES: C[N+]1(CCN=C=NC2CCCCC2)CCOCC1.Cc1ccc(S(=O)(=O)[O-])cc1
InChIKey: GBCAVSYHPPARHX-UHFFFAOYSA-M
분자식: C14H26N3O.C7H7O3S
평균 분자량: 423.6 g/mol
단동위원소 질량: 423.21917754

이름 및 식별자

우선 이름: 1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate
IUPAC: N'-cyclohexyl-N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]methanediimine;4-methylbenzenesulfonate

이름 및 동의어

2491-17-0CME-CARBODIIMIDE1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonateCME CarbodiimideCarbodiimide, CMECMECRefChem:5113484-(2-((Cyclohexylimidocarbonyl)amino)ethyl)-4-methylmorpholinium219-650-3Morpho CDI1-Cyclohexyl-3-[2-(4-methylmorpholino)ethyl]carbodiimide p-Toluenesulfonate4-(2-(((Cyclohexylimino)methylene)amino)ethyl)-4-methylmorpholin-4-ium 4-methylbenzenesulfonate

이름 더 보기

MFCD00011979NSC231596N-cyclohexyl-N'-(2-morpholinoethyl)carbodiimide methyl-p-toluenesulfonate1-Cyclohexyl 3-(2-morpholinoethyl)carbodiimide methotosylateCMC [N-Cyclohexyl-N''-(2-morpholinoethyl)carbodiimide metho-p-toluenesulfonate]1-cyclohexyl-3-(2-morpholinoethyl) carbodiimide metho-p-toluenesulfonateMorpho-CDI102292-00-2

데이터베이스 식별자

CAS: 102292-00-2、2491-17-0
PubChem CID: 17220
DTXSID: DTXSID60907344
ChEMBL: CHEMBL1789981
EC Number: 219-650-3

물성

구조 계산 물성

극성 표면적: 99.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 29
형식 전하: 0
복잡도: 491

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Morpholinium, 4-[2-[(cyclohexylcarbonimidoyl)amino]ethyl]-4-methyl-, salt with 4-methylbenzenesulfonic acid (1:1)

Morpholinium, 4-2-(cyclohexylcarbonimidoyl)aminoethyl-4-methyl-, salt with 4-methylbenzenesulfonic acid (1:1): Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Irrit. 2 (100%)