Indole-3-acetamide (HCID 397)

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 물성

XLogP: 0.8
극성 표면적: 58.9 Å²
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 · 2건

135.5 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

136.2 Å² [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
SMILES: N1C2=C(C=CC=C2)C(CC(N)=O)=C1
NIST: 3 · 3-Indoleacetamide(879-37-8)

화학적 성질

White to Orange to Green powder to crystal

안전 및 규제

GHS 분류

GHS Classification · 3건

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: 29339900
hazard_code: Xi
위험 참고 사항: Irritant
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsCytoplasm

응용 분야 · 2건

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

Tryptophol 3-인돌레아세토니트릴

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

추가 설명 · 1건

정의ChEBI: 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.