기본 정보
- CAS
55954-19-3- 표준 SMILES
CC1(C)CC(NC(=O)N2CCCCCC2=O)CC(C)(CNC(=O)N2CCCCCC2=O)C1- InChIKey
OUXZKCYUOAUYIV-UHFFFAOYSA-N- 분자식
- C24H40N4O4
- 평균 분자량
- 448.6 g/mol
- 단동위원소 질량
- 448.30495577
이름 및 식별자
- 우선 이름
- N-(3-(((((Hexahydro-2-oxo-1H-azepin)-1-yl)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)hexahydro-2-oxo-1H-azepine-1-carboxamide
- IUPAC
- 2-oxo-N-[[1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methyl]azepane-1-carboxamide
- 현지명
- N-[3-[[[(헥사하이드로-2-옥소-1H-아제핀-1-일)카보닐]아미노]메틸-3,5,5-트리메틸사이클로헥실]헥사하이드로-2-옥소-1H-아제핀-1-카복사마이드
- 영어명
- hexahydro-N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-2-oxo-1H-azepine-1-carboxamide
- 분자식
- C24H40N4O4
- 분자량
- 448.6
이름 및 동의어
EINECS 259-920-81FJT8579PA1H-Azepine-1-carboxamide, N-(3-((((hexahydro-2-oxo-1H-azepin-1-yl)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)hexahydro-2-oxo-N-(3-(((((Hexahydro-2-oxo-1H-azepin)-1-yl)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)hexahydro-2-oxo-1H-azepine-1-carboxamideJ296.535F1-((1-Aza-2-oxocyclohept-1-yl)carbonylaminomethyl)-3-((1-aza-2-oxocyclohept-1-yl)carbonylamino)-1,5,5-trimethylcyclohexaneDTXSID7029376Hexahydro-N-(3-((((hexahydro-2-oxo-1H-azepin-1-yl)carbonyl)amino)methyl)-3,5,5-trimethylcyclohexyl)-2-oxo-1H-azepine-1-carboxamide1H-Azepine-1-carboxamide, N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]hexahydro-2-oxo-2-OXO-N-((1,3,3-TRIMETHYL-5-(((2-OXO-1-AZEPANYL)CARBONYL)AMINO)CYCLOHEXYL)METHYL)-1-AZEPANECARBOXAMIDE2-OXO-N-((1,3,3-TRIMETHYL-5-((2-OXOAZEPANE-1-CARBONYL)AMINO)CYCLOHEXYL)METHYL)AZEPANE-1-CARBOXAMIDEHexahydro-N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-2-oxo-1H-azepine-1-carboxamide
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 98.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 738
실험 및 물리화학적 성질
Physical DescriptionLiquid; Other Solid
물리화학적 성질
- 밀도
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.75 · 12.75±0.60(Predicted)
- EPA
- Isophorone diisocyanate caprolactam adduct (1:2) (55954-19-3)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (25 of 25) of all reports.
Not Classified
Aggregated GHS information provided per 25 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1H-Azepine-1-carboxamide, N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]hexahydro-2-oxo-
1H-Azepine-1-carboxamide, N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]hexahydro-2-oxo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Azepine-1-carboxamide, N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]hexahydro-2-oxo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
1H-Azepine-1-carboxamide, N-3-(hexahydro-2-oxo-1H-azepin-1-yl)carbonylaminomethyl-3,5,5-trimethylcyclohexylhexahydro-2-oxo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-18589
화학 및 산업
용도 및 제조
U.S. Production2023: 1,242,615 lb
Industry UsesIntermediate
General Manufacturing Information
Paint and Coating Manufacturing
1H-Azepine-1-carboxamide, N-[3-[[[(hexahydro-2-oxo-1H-azepin-1-yl)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]hexahydro-2-oxo-: ACTIVE
공급사1 곳
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…