Indole-3-methanamine - ≥95% , CAS No.22259-53-6

CAS: 22259-53-6 Cat. No.: H182931 Formula: C₉H₁₀N₂ Peso molecolare: 146.19 Numero EC: 812-123-4

GRADE & PURITY ≥95%

Synonyms

MFCD01631210 | NDVASEGYNIMXJL-NXEZZACHSA-N | CHEBI:65009 | (S)-pyrrolidin-2-one-5-carboxylic acid t-butyl ester | AM803537 | UNII-E4P3UW7XBF | 1H-Indol-3-ylmethylamine | AC-29759 | J-500193 | F2113-0337 | HY-33893 | EN300-164849 | 3-(aminomethyl) indole |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

MFCD01631210 | NDVASEGYNIMXJL-NXEZZACHSA-N | CHEBI:65009 | (S)-pyrrolidin-2-one-5-carboxylic acid t-butyl ester | AM803537 | UNII-E4P3UW7XBF | 1H-Indol-3-ylmethylamine | AC-29759 | J-500193 | F2113-0337 | HY-33893 | EN300-164849 | 3-(aminomethyl) indole |

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1=CC=C2C(=C1)C(=CN2)CN

IUPAC Name

1H-indol-3-ylmethanamine

InChIKey

JXYGLMATGAAIBU-UHFFFAOYSA-N

INCHI

1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2

Isomeri SMILES

C1=CC=C2C(=C1)C(=CN2)CN

Peso molecolare

146.19

Reaxy-Rn

4082

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4082&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Aralkylamines Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Aralkylamine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound
• Descrizione: 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: aminoalkylindole - aralkylamino compound

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 146.190 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 146.084 Da
• Monoisotopic Mass: 146.084 Da
• Topological Polar Surface Area: 41.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 22259-53-6, the molecular formula is C9H10N2, and the molecular weight is 146.19 g/mol. InChIKey JXYGLMATGAAIBU-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.