인돌-3-아세트산
Indole-3-Acetic Acid
기본 정보
- CAS
87-51-4- 표준 SMILES
O=C(O)Cc1c[nH]c2ccccc12- InChIKey
SEOVTRFCIGRIMH-UHFFFAOYSA-N- 분자식
- C10H9NO2
- 평균 분자량
- 175.18 g/mol
- 단동위원소 질량
- 175.06332853
개요
Indole-3-acetic acid is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group. It has a role as an auxin, a plant hormone, a mouse metabolite, a plant metabolite and a human metabolite. It is a member of indole-3-acetic acids and a monocarboxylic acid. It is a conjugate acid of an indole-3-acetate.
이름 및 식별자
- 우선 이름
- Indole-3-Acetic Acid
- IUPAC
- 2-(1H-indol-3-yl)acetic acid
- 현지명
- 인돌-3-아세트산
- 영어명
- Indole-3-acetic acid
- 분자식
- C10H9NO2
- 분자량
- 175.18
이름 및 동의어
indole-3-acetic acid87-51-43-Indoleacetic acidindoleacetic acidHeteroauxin1H-Indole-3-acetic acid2-(1H-Indol-3-yl)acetic acidRhizopin1H-indol-3-ylacetic acidRhizopon A3-Indolylacetic acid3-Iaa
이름 더 보기
3-인돌아세트산인돌-3-아세트산1H-인돌-3-아세트산3-(카르복시메틸)인돌헤테아욱신인돌아세인돌아세틱애씨드인돌-3-아세트산IAAGapIndolylacetic acidINDOL-3-YLACETIC ACIDHETEROAUXINEIndoleacetateindole-3-acetic
3-(Carboxymethyl)indolebeta-Indoleacetic acidbeta-Indolylacetic acidIndolyl-3-acetic acidKyselina 3-indolyloctovaDTXSID50207382-(indol-3-yl)ethanoic acid(indol-3-yl)acetic acid
데이터베이스 식별자
- CAS
87-51-4- PubChem CID
- 802
- DTXSID
DTXSID5020738- ChEMBL
CHEMBL82411- ChEBI
CHEBI:16411- UNII
- 6U1S09C61L
- EC Number
- 201-748-2
- Nikkaji
- J5.156J
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 53.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 205
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesAngular frequency
Pesticides
Plant Growth Regulators
Active substance -> EU Pesticides database: Not approved
Pesticides -> Plant Growth Regulators
LogP
1.41
1.41
Solubility
1.5 mg/mL
>26.3 [ug/mL] (The mean of the results at pH 7.4)
Melting Point168.5 °C
Vapor Pressure0.00000526 [mmHg]
Physical Description
Solid; [Merck Index] Light tan to light pink flaky powder; Odorless; [PhytoTechnology Laboratories MSDS]
Solid
Collision Cross Section
136.2 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
138.11 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
135.9 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
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 8.9% (5 of 56) of reports.
Warning
H302 (58.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1H-Indole-3-acetic acid
2008/941
REACH registered substance: Indol-3-ylacetic acid (EC: 201-748-2)
Indole-3-acetic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; [PhytoTechnology Laboratories MSDS] See Indole. See Indole-3-butyric acid.
Hazard Classes and CategoriesAcute Tox. 4 (58.9%)
독성 정보
Treatment
Chronic Exposure: Kidney dialysis is usually needed to relieve the symptoms of uremic syndrome until normal kidney function can be restored. Acute Exposure: EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice.
Health Effects
Indoleacetic acid is listed in its MSDS as potentially mutagenic to mammalian somatic cells. It is also identified as a potential skin, eye, and respiratory irritant, and users are warned not to ingest it. Acute exposure to Indoleacetic acid can lead to some mild skin and eye irritation. Chronic exposure to uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease. Chronically high levels of Indoleacetic acid are associated with the inborn error of metabolism known as Hartnup disease.
화학 및 산업
약리 정보
Metabolism/Metabolites
Indole-3-acetic-acid has known human metabolites that include Indole-3-acetic-acid-O-glucuronide.
Indoleacetic acid (IAA) is a breakdown product of tryptophan metabolism and is often produced by the action of bacteria in the mammalian gut. Some endogenous production of IAA in mammalian tissues also occurs. It may be produced by the decarboxylation of tryptamine or the oxidative deamination of tryptophan.
MeSH Pharmacological ClassificationAny of the hormones produced naturally in plants and active in controlling growth and other functions. There are three primary classes: auxins, cytokinins, and gibberellins.
Tissue LocationsBrain
Cellular LocationsCytoplasm
Metabolite PathwaysTryptophan metabolism
용도 및 제조
Uses
Used as a plant growth regulator; [Merck Index] Active product registrations in the US; [NPIRS]
Farming (Pesticides) [Category: Industry]
Naturally produced by the body (endogenous). Also a plant growth hormone (auxin).
General Manufacturing Information1H-Indole-3-acetic acid: ACTIVE
응용 분야
용도Plant growth regulator.
일반 설명3-Indoleacetic acid is a highly effective, growth promotor in lower plant life, formed by a variety of fungi, including yeast and has been isolated from Aspergillus niger and Rhizopus sp. It is commonly employed in horticulture and industry.
관련 반응
78건
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