2-메틸-1-아지리딘프로판산 2-에틸-2-[[3-(2-메틸-1-아지리딘일)-1-옥소프로폭시)메틸)-1,3-프로판 디올 에스테르
1-Aziridinepropanoic acid, 2-methyl-, 2-ethyl-2-[[3-(2-methyl-1-aziridinyl)-1-oxopropoxy]methyl]-1,3-propanediyl ester
기본 정보
- CAS
64265-57-2- 표준 SMILES
CCC(COC(=O)CCN1CC1C)(COC(=O)CCN1CC1C)COC(=O)CCN1CC1C- InChIKey
YKEGOEUSKXVSPN-UHFFFAOYSA-N- 분자식
- C24H41N3O6
- 평균 분자량
- 467.6 g/mol
- 단동위원소 질량
- 467.29953604
이름 및 식별자
- 우선 이름
- 1-Aziridinepropanoic acid, 2-methyl-, 2-ethyl-2-[[3-(2-methyl-1-aziridinyl)-1-oxopropoxy]methyl]-1,3-propanediyl ester
- IUPAC
- 2,2-bis[3-(2-methylaziridin-1-yl)propanoyloxymethyl]butyl 3-(2-methylaziridin-1-yl)propanoate
- 현지명
- 2-메틸-1-아지리딘프로판산 2-에틸-2-[[3-(2-메틸-1-아지리딘일)-1-옥소프로폭시)메틸)-1,3-프로판 디올 에스테르
- 영어명
- Trimethylolpropane tris(2-methyl-1-aziridinepropionate)
- 분자식
- C24H41N3O6
- 분자량
- 467.6
이름 및 동의어
1-Aziridinepropanoic acid, 2-methyl-, 2-ethyl-2-((3-(2-methyl-1-aziridinyl)-1-oxopropoxy)methyl)-1,3-propanediyl ester2-Ethyl-2-((3-(2-methylaziridin-1-yl)propionyl)methyl)propane-1,3-diyl bis(2-methylaziridine-1-propionate)1-Aziridinepropanoic acid, 2-methyl-, 1,1'-(2-ethyl-2-((3-(2-methyl-1-aziridinyl)-1-oxopropoxy)methyl)-1,3-propanediyl) ester1-Aziridinepropanoic acid, 2-methyl-, 1,1'-[2-ethyl-2-[[3-(2-methyl-1-aziridinyl)-1-oxopropoxy]methyl]-1,3-propanediyl] ester1-Aziridinepropanoic acid, 2-methyl-, 2-ethyl-2-[[3-(2-methyl-1-aziridinyl)-1-oxopropoxy]methyl]-1,3-propanediyl ester2-Ethyl-2-[[3-(2-methylaziridin-1-yl)propionyl]methyl]propane-1,3-diyl bis(2-methylaziridine-1-propionate)RefChem:4295961-Aziridinepropanoic acid, 2-methyl-, 2-ethyl-2-3-(2-methyl-1-aziridinyl)-1-oxopropoxymethyl-1,3-propanediyl ester2,2-bis({[3-(2-methylaziridin-1-yl)propanoyl]oxy}methyl)butyl 3-(2-methylaziridin-1-yl)propanoate2-Ethyl-2-(((3-(2-methylaziridin-1-yl)propanoyl)oxy)methyl)propane-1,3-diyl bis(3-(2-methylaziridin-1-yl)propanoate)3IBU45G41KMFCD00192542
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 87.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 613
물리화학적 성질
- 녹는점
- -30 ℃ · -30℃
- 끓는 점
- 532.1 · 532.1±50.0 °C(Predicted)
- 밀도
- 1.1 g/mL · 1.1 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.477(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 산도 계수 (pKa)
- 7.31 · 7.31±0.40(Predicted)
- 색상
- 무색
- InChI
- InChI=1S/C24H41N3O6/c1-5-24(15-31-21(28)6-9-25-12-18(25)2,16-32-22(29)7-10-26-13-19(26)3)17-33-23(30)8-11-27-14-20(27)4/h18-20H,5-17H2,1-4H3
- InChIKey
- YKEGOEUSKXVSPN-UHFFFAOYSA-N
- SMILES
- C(OC(=O)CCN1CC1C)C(CC)(COC(=O)CCN1CC1C)COC(=O)CCN1CC1C
- EPA
- 3 · Trimethylolpropane tris[3-(2-methyl-1-aziridinyl)propionate] (64265-57-2)
화학적 성질
Colorless to light yellow transparent liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory Information1-Aziridinepropanoic acid, 2-methyl-, 2-ethyl-2-3-(2-methyl-1-aziridinyl)-1-oxopropoxymethyl-1,3-propanediyl ester: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CM8544125
- risk_code
- 22
- hazard_code
- Xn
- 기존화학 물질
- KE-23443
화학 및 산업
응용 분야
용도Trimethylolpropane Tris(2-methyl-1-aziridinepropionate) is one of the triaziridnyl compounds added as a latent curing agent for single pack self-curable polyurethane (PU) systems.
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