기본 정보
- CAS
18836-52-7- 표준 SMILES
CCCCC/C=C/C=C/C(=O)NCC(C)C- InChIKey
MAGQQZHFHJDIRE-BNFZFUHLSA-N- 분자식
- C14H25NO
- 평균 분자량
- 223.35 g/mol
- 단동위원소 질량
- 223.19361442
개요
Pellitorine is a fatty amide. It has a role as a metabolite.
이름 및 식별자
- 우선 이름
- Pellitorine
- IUPAC
- (2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide
- 현지명
- (2E,4E)-N-(2-메틸프로필)-2,4-(데카디엔아마이드)
- 영어명
- pellitorine
- 분자식
- C14H25NO
- 분자량
- 223.35
이름 및 동의어
Pellitorine18836-52-7Pellitorin(E,E)-N-Isobutyl-2,4-decadienamideN-Isobutyldeca-trans-2,trans-4-dienamideFEMA NO. 41488IS5231171N-ISOBUTYL (E,E)-2,4-DECADIENAMIDERefChem:859188trans-Pellitorin(2E,4E)-N-(2-methylpropyl)deca-2,4-dienamide(2E,4E)-N-isobutyldeca-2,4-dienamide
이름 더 보기
(2E,4E)-N-(2-메틸프로필)-2,4-(데카디엔아마이드)N-ISOBUTYLDECA-TRANS-2-TRANS-4-DIENAMIDEOptaflow A2-dioxetanePiperonal Impurity 10isobutyl (E,E)-2,4-decadienamideN-ISOBUTYL(E,E)-2,4-DECADIENAMIDE(2E,4E)-Isobutyl-deca-2,4-dienamide(2E,4E)-N-Isobutyl-2,4-decadienamide
trans-Pellitorine(2E,4E)-N-(2-Methylpropyl)-2,4-decadienamide(E,E)-N-(2-Methylpropyl)-2,4-decadienamide2,4-Decadienamide, N-(2-methylpropyl)-, (2E,4E)-2,4-DECADIENAMIDE, N-ISOBUTYL-, (E,E)-2,4-Decadienamide, N-(2-methylpropyl)-, (E,E)-SCHEMBL258097CHEBI:69686
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 29.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 229
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty amides [FA08] -> N-acyl amines [FA0802]
FragrancesFragrance Ingredient (N-Isobutyldeca-trans-2-trans-4-dienamide) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water
Soluble (in ethanol)
Physical DescriptionColourless off-white to yellow solid; Spicy herb-type aroma
물리화학적 성질
- 녹는점
- 88 · 88-89℃
- 끓는 점
- 368.7 · 368.7±15.0 °C(Predicted)
- 밀도
- 0.882 · 0.882
- FEMA
- 4148 · 4148 | N-ISOBUTYLDECA-TRANS-2-TRANS-4-DIENAMIDE
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO: Soluble; Ethanol: Soluble; Methanol: Soluble
- 물리적 상태
- 결정성 고체
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 9.6% (11 of 114) of reports.
Danger
H301 (90.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 114 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: 2,4-Decadienamide, N-(2-methylpropyl)-, (2E,4E)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: (2E,4E)-Isobutyl-deca-2,4-dienamide (EC: 457-600-4)
Hazard Classes and CategoriesAcute Tox. 3 (90.4%)
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
- 함량 및 규제정보
- 물질구분: 유독물질; 혼합물(제품)함량정보: (2E,4E)-N-(2-메틸프로필)-2,4-(데카디엔아마이드) 및 이를 25% 이상 함유한 혼합물
- 유해화학물질 필터링
- 2018-1-857(신규화학물질)
화학 및 산업
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
응용 분야
용도Pellitorine is an ACAT (Acyl-CoA cholesteryl acyl transferase) and α-Glucosidase inhibitor.
공급사71 곳
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
宁波君龙新材料有限公司0574 88552218 18969899212 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Aladdin Scientific
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