Indole-3-acetamide - ≥98% , CAS No.879-37-8

CAS: 879-37-8 Cat. No.: I123331 분자식: C₁₀H₁₀N₂O 분자량: 174.2 Beilstein Registry Number: 22(5)370 EC 번호: 212-904-4

등급 & 순도 ≥98%

Synonyms

AKOS001129741 | bmse000696 | I0668 | InChI=1/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13) | 2-(3-Indolyl)acetamide | 3-Indoleacetamide | SB15031 | SY014237 | (1H-indol-3-yl)acetamide | AM1212 | C10H10N2O | Indole-3-acetamide (8CI

Storage

Argon charged,Room temperature

Shipped In

Normal

개요

Product Description：

Indole-3-acetamide is an auxin precursor.

Product Application：

Indole-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 C

A potential agent against Prion Disease

Protein kinase C (PKC) inhibitor bisindolylmaleimide IV

Glycogen synthase kinase-3ß (GSK-3ß) inhibitors

Inhibitors of CaMKIId

A VEGF inhibitor

사양

동의어

AKOS001129741 | bmse000696 | I0668 | InChI=1/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13) | 2-(3-Indolyl)acetamide | 3-Indoleacetamide | SB15031 | SY014237 | (1H-indol-3-yl)acetamide | AM1212 | C10H10N2O | Indole-3-acetamide (8CI

사양 및 순도

≥98%

보관 조건

Argon charged,Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488179520

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179520

정식 스마일

C1=CC=C2C(=C1)C(=CN2)CC(=O)N

IUPAC Name

2-(1H-indol-3-yl)acetamide

InChIKey

ZOAMBXDOGPRZLP-UHFFFAOYSA-N

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)

이성체 SMILES

C1=CC=C2C(=C1)C(=CN2)CC(=O)N

WGK 독일

3

분자량

174.2

Beilstein

22(5)370

Reaxy-Rn

143368

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=143368&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Substituted pyrroles Benzenoids Heteroaromatic compounds Carboximidic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• External Descriptors: a small molecule

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 용해성: Soluble in Methanol
• 감도: light & air sensitive
• 녹는점(°C): 153°C
• 분자량: 174.200 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 174.079 Da
• Monoisotopic Mass: 174.079 Da
• Topological Polar Surface Area: 58.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 205.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 879-37-8, the molecular formula is C10H10N2O, and the molecular weight is 174.2 g/mol. InChIKey ZOAMBXDOGPRZLP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.