기본 정보
- CAS
68975-83-7- 표준 SMILES
CC1(C)CC(NC(=O)N2CCCCCC2=O)CC(C)(Cn2c(=O)n(CC3(C)CC(NC(=O)N4CCCCCC4=O)CC(C)(C)C3)c(=O)n(CC3(C)CC(NC(=O)N4CCCCCC4=O)CC(C)(C)C3)c2=O)C1- InChIKey
XAUGVXXNNOTSRJ-UHFFFAOYSA-N- 분자식
- C54H87N9O9
- 평균 분자량
- 1,006.3 g/mol
- 단동위원소 질량
- 1,005.66267539
이름 및 식별자
- 우선 이름
- N,N',N''-((2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methylene(3,5,5-trimethylcyclohexane-3,1-diyl)))tris(hexahydro-2-oxo-1H-azepine-1-carboxamide)
- IUPAC
- 2-oxo-N-[3,3,5-trimethyl-5-[[2,4,6-trioxo-3,5-bis[[1,3,3-trimethyl-5-[(2-oxoazepane-1-carbonyl)amino]cyclohexyl]methyl]-1,3,5-triazinan-1-yl]methyl]cyclohexyl]azepane-1-carboxamide
- 영어명
- N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethylcyclohexane-3,1-diyl)]]tris[hexahydro-2-oxo-1H-azepine-1-carboxamide]
- 분자식
- C54H81N9O9
- 분자량
- 1000.27584
이름 및 동의어
68975-83-7EINECS 273-482-5F1IFX1F5941H-Azepine-1-carboxamide, N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)]]tris[hexahydro-2-oxo-DTXSID808876391H-Azepine-1-carboxamide, N,N',N''-((2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)))tris(hexahydro-2-oxo-)1H-Azepine-1-carboxamide, N,N',N''-((2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)))tris(hexahydro-2-oxo-N,N',N''-((2,4,6-TRIOXO-1,3,5-TRIAZINE-1,3,5(2H,4H,6H)-TRIYL)TRIS(METHYLENE(3,5,5-TRIMETHYL-3,1-CYCLOHEXANEDIYL)))TRIS(HEXAHYDRO-2-OXO-1H-AZEPINE-1-CARBOXAMIDE)N,N',N''-((2,4,6-Trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris(methylene(3,5,5-trimethylcyclohexane-3,1-diyl)))tris(hexahydro-2-oxo-1H-azepine-1-carboxamide)N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethylcyclohexane-3,1-diyl)]]tris[hexahydro-2-oxo-1H-azepine-1-carboxamide]
물성
구조 계산 물성
- XLogP
- 7.3
- 극성 표면적
- 209 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 72
- 형식 전하
- 0
- 복잡도
- 1,890
실험 및 물리화학적 성질
Food Contact Substances
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical DescriptionDry Powder; Other Solid
물리화학적 성질
- EPA
- 1 H-Azepine-1-carboxamide, · 1H-Azepine-1-carboxamide, N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)]]tris[hexahydro-2-oxo- (68975-83-7)
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 58.1% (25 of 43) of all reports.
Danger
H315 (41.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1H-Azepine-1-carboxamide, N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)]]tris[hexahydro-2-oxo-
1H-Azepine-1-carboxamide, N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)]]tris[hexahydro-2-oxo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Azepine-1-carboxamide, N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)]]tris[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,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)]]tris[hexahydro-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 CategoriesSkin Irrit. 2 (41.9%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
U.S. Production2023: 906,503 lb
Consumer UsesHardener
Industry UsesIntermediate
General Manufacturing Information
Paint and Coating Manufacturing
1H-Azepine-1-carboxamide, N,N',N''-[(2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tris[methylene(3,5,5-trimethyl-3,1-cyclohexanediyl)]]tris[hexahydro-2-oxo-: ACTIVE
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