Indole-3-acetamide
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기본 정보
- CAS
879-37-8- 표준 SMILES
NC(=O)Cc1c[nH]c2ccccc12- InChIKey
ZOAMBXDOGPRZLP-UHFFFAOYSA-N- 분자식
- C10H10N2O
- 평균 분자량
- 174.2 g/mol
- 단동위원소 질량
- 174.07931294
개요
Indole-3-acetamide is a member of the class of indoles that is acetamide substituted by a 1H-indol-3-yl group at position 2. It is an intermediate in the production of plant hormone indole acetic acid (IAA). It has a role as a plant metabolite, a fungal metabolite and a bacterial metabolite. It is a member of indoles, a monocarboxylic acid amide and a N-acylammonia. It is functionally related to an acetamide.
이름 및 식별자
- 우선 이름
- Indole-3-acetamide
- IUPAC
- 2-(1H-indol-3-yl)acetamide
- 영어명
- 3-Indoleacetamide
- 분자식
- C10H10N2O
- 분자량
- 174.2
이름 및 동의어
indole-3-acetamide879-37-82-(1H-Indol-3-yl)acetamide3-IndoleacetamideIndoleacetamide(indol-3-yl)acetamideO9SEW65XW3DTXSID60236686NSC-1969CHEBI:16031RefChem:148193DTXCID90159177
이름 더 보기
BRN08735433-IndoleaceBRN 0873543BRN-0873543ACETAMIDOINDOZE
212-904-41H-Indole-3-acetamide3-IndolylacetamideMFCD000056411H-Indol-3-ylacetamide2-(3-Indolyl)acetamide1-Indole-3-acetamideNSC 1969
데이터베이스 식별자
- CAS
879-37-8- PubChem CID
- 397
- DTXSID
DTXSID60236686- ChEBI
CHEBI:16031- UNII
- O9SEW65XW3
- EC Number
- 212-904-4
- Nikkaji
- J128.124K
물성
구조 계산 물성보충 중
- XLogP
- 0.8
- 극성 표면적
- 58.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 205
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Melting Point150 - 151 °C
Physical DescriptionSolid
Collision Cross Section
135.5 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
136.2 Ų [M+H]+
물리화학적 성질
- 녹는점
- 148 · 148-150 °C(lit.)
- 끓는 점
- 469.7 · 469.7±28.0 °C(Predicted)
- 밀도
- 1.285 · 1.285±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- DMSO (약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 16.37 · 16.37±0.40(Predicted)
- 색상
- 흰색에서 황백색까지
- InChI
- InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)
- InChIKey
- ZOAMBXDOGPRZLP-UHFFFAOYSA-N
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% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- HS 번호
- 2933990099
- hazard_code
- Xi
- 위험 참고 사항
- Irritant
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsCytoplasm
응용 분야
용도Indole-3-acetamide was used in the synthesis of [5.5.6.6]diazafenestrane skeleton and indole-3-acetic acid.Reactant for the synthesis of:PET agent for imaging of protein kinase CA potential agent against Prion DiseaseProtein kinase C (PKC) inhibitor bisindolylmaleimide IVGlycogen synthase kinase-3 (GSK-3) inhibitorsInhibitors of CaMKIIdA VEGF inhibitorJAK3 inhibitorsInhibitors of NAD+-Dependent Histone DeacetylasesInhibitors of human adipocyte fatty acid-binding proteinCyclin-dependent kinase inhibitors
일반 설명Indole-3-acetamide is an auxin precursor.
상·하류 제품 정보
상류 원료
하류 제품
추가 설명
ChEBI: Indole-3-acetamide is a member of the class of indoles that is acetamide substituted by a 1H-indol-3-yl group at position 2. It is an intermediate in the production of plant hormone indole acetic acid (IAA). It has a role as a fungal metabolite, a bacterial metabolite and a plant metabolite. It is a N-acylammonia, a monocarboxylic acid amide and a member of indoles. It is functionally related to an acetamide.
관련 반응
40건
화합물 노트
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