기본 정보
- CAS
136210-32-7- 표준 SMILES
CCOC(=O)CC(NC1CCC(CC2CCC(NC(CC(=O)OCC)C(=O)OCC)C(C)C2)CC1C)C(=O)OCC- InChIKey
YHVVJCQIMRGPPE-UHFFFAOYSA-N- 분자식
- C31H54N2O8
- 평균 분자량
- 582.8 g/mol
- 단동위원소 질량
- 582.38801669
이름 및 식별자
- 우선 이름
- Aspartic acid, N,N'-(methylenebis(2-methyl-4,1-cyclohexanediyl))bis-, 1,1',4,4'-tetraethyl ester
- IUPAC
- diethyl 2-[[4-[[4-[(1,4-diethoxy-1,4-dioxobutan-2-yl)amino]-3-methylcyclohexyl]methyl]-2-methylcyclohexyl]amino]butanedioate
- 현지명
- 아스파르트산,N,N-메틸렌비스(2-메틸-4,1-시클로헥산디일)비스-,테트라에틸에스테르
- 영어명
- Aspartic acid, N,N-methylenebis(2-methyl-4,1-cyclohexanediyl)bis-, tetraethyl ester
- 분자식
- C31H54N2O8
- 분자량
- 582.77
이름 및 동의어
bis(4-(1,2-bis(ethoxycarbonyl)ethylamino)-3-methylcyclohexyl)methaneDTXSID00869856EC 412-060-91,1'-Methylenebis((3-methylcyclohexyl-4)-2-aminobutanedioic acid), tetraethyl esterAspartic acid, N,N'-(methylenebis(2-methyl-4,1-cyclohexanediyl))bis-, 1,1',4,4'-tetraethyl esterTetraethyl N,N'-(methylenebis(2-methyl-4,1-cyclohexanediyl))bisaspartateAspartic acid, N,N'-(methylenebis(2-methyl-4,1-cyclohexanediyl))bis-, tetraethyl esterAspartic acid, N,N'-[methylenebis(2-methyl-4,1-cyclohexanediyl)]bis-, tetraethyl esterTetraethyl N,N'-[methylenebis(2-methyl-4,1-cyclohexanediyl)]bisaspartateAspartic acid, N,N'-[methylenebis(2-methyl-4,1-cyclohexanediyl)]bis-, 1,1',4,4'-tetraethyl esterRefChem:560222DTXCID90817760
이름 더 보기
아스파르트산,N,N-메틸렌비스(2-메틸-4,1-시클로헥산디일)비스-,테트라에틸에스테르Tetraethyl N,N'-[methylenebis(2-methyl-4,1-cyclohexane diyl)]bis(aspartate)Aspartic acid, N,N-methylenebis(2-methyl-4,1-cyclohexanediyl)bis-, tetraethyl ester
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 129 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 771
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 634.6 · 634.6±55.0 °C(Predicted)
- 밀도
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- 증기압
- 0.002 Pa · 0.002Pa at 20℃
- 산도 계수 (pKa)
- 7.34 · 7.34±0.60(Predicted)
- 수용성
- 5 mg/L · 5mg/L at 20℃
- LogP
- 5.99 at · 5.99 at 20℃
- EPA
- Tetraethyl N,N'-[methylenebis(2-methyl-4,1-cyclohexanediyl)]bisaspartate (136210-32-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 0.5% (1 of 183) of reports.
Warning
H317 (99.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
유해성 정보
Regulatory Information
Chemical: Aspartic acid, N,N'-[methylenebis(2-methyl-4,1-cyclohexanediyl)]bis-, tetraethyl ester
Aspartic acid, N,N'-[methylenebis(2-methyl-4,1-cyclohexanediyl)]bis-, 1,1',4,4'-tetraethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Aspartic acid, N,N'-[methylenebis(2-methyl-4,1-cyclohexanediyl)]bis-, 1,1',4,4'-tetraethyl ester 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Bis(4-(1,2-bis(ethoxycarbonyl)ethylamino)-3-methylcyclohexyl)methane (EC: 412-060-9)
Aspartic acid, N,N'-[methylenebis(2-methyl-4,1-cyclohexanediyl)]bis-, tetraethyl ester: 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 Categories
Skin Sens. 1 (99.5%)
Skin Sens. 1 (100%)
Skin sensitisation - category 1
Skin Sens. 1
안전 데이터
- tsca
- TSCA listed
- risk_code
- 43-52/53
- hazard_code
- Xi
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesPaint additives and coating additives not described by other categories
Industry UsesIntermediate
General Manufacturing Information
Paint and Coating Manufacturing
Aspartic acid, N,N'-[methylenebis(2-methyl-4,1-cyclohexanediyl)]bis-, 1,1',4,4'-tetraethyl ester: ACTIVE
공급사4 곳
Shenzhen Ruqinba Chemical Materials Co., Ltd.+86-13622390214 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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