기본 정보
- CAS
68003-28-1- 표준 SMILES
O=C1NCCNCCNC(=O)c2ccccc2C(=O)NCCNCCNC(=O)c2ccccc21- InChIKey
IENBGFRUACWIIB-UHFFFAOYSA-N- 분자식
- C24H30N6O4
- 평균 분자량
- 466.5 g/mol
- 단동위원소 질량
- 466.23285346
이름 및 식별자
- 우선 이름
- Dibenzo(i,t)(1,4,7,12,15,18)hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-
- IUPAC
- 3,6,9,18,21,24-hexazatricyclo[24.4.0.011,16]triaconta-1(30),11,13,15,26,28-hexaene-2,10,17,25-tetrone
- 현지명
- 7,8,9,10,11,12,20,21,22,23,24,25-도데카히드로디벤조(I,T) (1,4,7,12,15,18) 헥사 아자 시클로도 코신-5,13,18,26 (6H, 19H)-트론
- 영어명
- 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydrodibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone
- 분자식
- C24H30N6O4
- 분자량
- 466.53
이름 및 동의어
68003-28-1EINECS 268-115-07,8,9,10,11,12,20,21,22,23,24,25-dodecahydrodibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6h,19h)-tetroneDTXSID8070962Dibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-Dibenzo(i,t)(1,4,7,12,15,18)hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-7,8,9,10,11,12,20,21,22,23,24,25-Dodecahydrodibenzo(i,t)(1,4,7,12,15,18)hexaazacyclodocosine-5,13,18,26(6H,19H)-tetroneRefChem:586397DTXCID4045393268-115-0Dibenzoi,t1,4,7,12,15,18hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-7,8,9,10,11,12,20,21,22,23,24,25-Dodecahydrodibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetraone
이름 더 보기
7,8,9,10,11,12,20,21,22,23,24,25-도데카히드로디벤조(I,T)(1,4,7,12,15,18)헥사아자시클로도코신-5,13,18,26(6H,19H)-트론
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 589
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 960.1 · 960.1±65.0 °C(Predicted)
- 밀도
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.34 · 13.34±0.20(Predicted)
- EPA
- 1 · Dibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro- (68003-28-1)
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% (23 of 23) of all reports.
Not Classified
Aggregated GHS information provided per 23 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Dibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-
Dibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro- 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)
Dibenzoi,t1,4,7,12,15,18hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-: 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-12818
화학 및 산업
용도 및 제조
U.S. Production2022: 250,000 - <550,000 lb
Industry UsesHardener
General Manufacturing Information
Transportation Equipment Manufacturing
Dibenzo[i,t][1,4,7,12,15,18]hexaazacyclodocosine-5,13,18,26(6H,19H)-tetrone, 7,8,9,10,11,12,20,21,22,23,24,25-dodecahydro-: ACTIVE
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