기본 정보
- CAS
13358-11-7- 표준 SMILES
CCCCC(CC)CN1C(=O)C2C(C1=O)C1(C(C)C)C=CC2(C)CC1- InChIKey
MVKYQJHRHHQPDM-UHFFFAOYSA-N- 분자식
- C22H35NO2
- 평균 분자량
- 345.5 g/mol
- 단동위원소 질량
- 345.26677936
이름 및 식별자
- 우선 이름
- 2-(2-Ethylhexyl)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-4,7-ethano-1H-isoindole-1,3(2H)-dione
- IUPAC
- 4-(2-ethylhexyl)-1-methyl-7-propan-2-yl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
- 영어명
- 7-Ethano-1H-isoindole-1, 3(2H)-dion, 2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethy4
- 분자식
- C22H35NO2
- 분자량
- 345.52
이름 및 동의어
Synepirin 50013358-11-72A5S1H7FO1DTXSID9042176Bicyclo(2.2.2)oct-5-ene-2,3-dicarboximide, N-(2-ethylhexyl)-1-isopropyl-4-methyl-4,7-Ethano-1H-isoindole-1,3(2H)-dione, 2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-N-(2-Ethylhexyl)-1-isopropyl-4-methylbiclyclo(2:2:2)oct-5-ene-2,3-dicarboximideN-(2-Ethylhexyl)-1-isopropyl-4-methylbiclyclo[2:2:2]oct-5-ene-2,3-dicarboximideRefChem:1060866DTXCID70221762-(2-Ethylhexyl)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethyl)-4,7-ethano-1H-isoindole-1,3(2H)-dioneAI3-26991
이름 더 보기
N-(2-Ethylhexyl)-1-isopropyl-4-methylbicyclo[2.2.2]oct-5-ene-2,3-dicarbimideN-(2-Ethylhexyl)-1-isopropyl-4-methylbicyclo[2.2.2]oct-5-ene-2,3-dicarboximidebicyclo(2.2.2)oct-5-ene-2,3-dicarboximide, n-(2-ethylhexyl)-1-isopropyl-4-methy
AI 3-26991UNII-2A5S1H7FO1SCHEMBL3712610MVKYQJHRHHQPDM-UHFFFAOYSA-N4-(2-ethylhexyl)-1-methyl-7-propan-2-yl-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione7-Ethano-1H-isoindole-1, 3(2H)-dion, 2-(2-ethylhexyl)-3a,4,7,7a-tetrahydro-4-methyl-7-(1-methylethy4NS001236102-(2-Ethylhexyl)-4-methyl-7-(propan-2-yl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 37.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 581
물리화학적 성질
- 끓는 점
- 185 · 185-189 °C(Press: 0.20 Torr)
- 밀도
- 1.037 · 1.037±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- -7.53 · -7.53±0.60(Predicted)
- EPA
- 2 · N-(2-Ethylhexyl)-1-isopropyl-4-methylbiclyclo[2:2:2]oct-5-ene-2,3-dicarboximide (13358-11-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 기존화학 물질
- KE-13795
관련 반응
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