5-Amino-1-n-methylindole - ≥98% , CAS No.102308-97-4

CAS: 102308-97-4 Cat. No.: A178842 Molecular Weight: 146.2 EC Number: 641-208-7

GRADE & PURITY ≥98%

Synonyms

1-methyl-5-amino-1h-indole | 1-methylindole-5-ylamine | 1-methyl-5-aminoindole | SCHEMBL721707 | SB15029 | BB 0261976 | PGTSGPCXPIFQEL-UHFFFAOYSA-N | Q-102911 | Z385461802 | EN300-783282 | DTXSID60377760 | HMS1702C02 | FT-0630144 | F5608-0075 | 5-amino-1-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-methyl-5-amino-1h-indole | 1-methylindole-5-ylamine | 1-methyl-5-aminoindole | SCHEMBL721707 | SB15029 | BB 0261976 | PGTSGPCXPIFQEL-UHFFFAOYSA-N | Q-102911 | Z385461802 | EN300-783282 | DTXSID60377760 | HMS1702C02 | FT-0630144 | F5608-0075 | 5-amino-1-

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504761776
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761776
• Canonical Smiles: CN1C=CC2=C1C=CC(=C2)N
• IUPAC Name: 1-methylindol-5-amine
• InChIKey: PGTSGPCXPIFQEL-UHFFFAOYSA-N
• INCHI: 1S/C9H10N2/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,10H2,1H3
• Isomeric SMILES: CN1C=CC2=C1C=CC(=C2)N
• Molecular Weight: 146.2
• Reaxy-Rn: 121557
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121557&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass N-alkylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: N-alkylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylindoles
• Alternative Parents: Indoles N-methylpyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-alkylindole - Indole - Benzenoid - Substituted pyrrole - N-methylpyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
• External Descriptors: Not available

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

Associated Targets(Human)

PRKCI Tchem Protein kinase C iota (2821 Activities)

Discover Target: PRKCI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 146.190 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 146.084 Da
• Monoisotopic Mass: 146.084 Da
• Topological Polar Surface Area: 31.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 146.000
• 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