(1-Methyl-1H-indol-5-yl)methanamine - ≥96% , CAS No.884507-17-9

CAS: 884507-17-9 Cat. No.: M195540 Molecular Weight: 160.22 EC Number: 855-743-0

GRADE & PURITY ≥96%

Synonyms

(1-methyl-1H-indol-5-yl)methylamine | 1-(1-Methyl-1H-indol-5-yl)methanamine | MFCD09025839 | SB76221 | SY111173 | A1-01202 | AM804481 | (1-methyl-1H-indol-5-yl)methylamine, AldrichCPR | A862180 | (1-Methyl-1H-indol-5-yl)methanamine | J-500222 | F8883-6668

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(1-methyl-1H-indol-5-yl)methylamine | 1-(1-Methyl-1H-indol-5-yl)methanamine | MFCD09025839 | SB76221 | SY111173 | A1-01202 | AM804481 | (1-methyl-1H-indol-5-yl)methylamine, AldrichCPR | A862180 | (1-Methyl-1H-indol-5-yl)methanamine | J-500222 | F8883-6668

Specifications & Purity

≥96%

Storage

Room temperature

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504768726
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768726
• Canonical Smiles: CN1C=CC2=C1C=CC(=C2)CN
• IUPAC Name: (1-methylindol-5-yl)methanamine
• InChIKey: XYCZKICJSDSNOW-UHFFFAOYSA-N
• INCHI: 1S/C10H12N2/c1-12-5-4-9-6-8(7-11)2-3-10(9)12/h2-6H,7,11H2,1H3
• Isomeric SMILES: CN1C=CC2=C1C=CC(=C2)CN
• Molecular Weight: 160.22
• Reaxy-Rn: 11171494
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11171494&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 Aralkylamines N-methylpyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-alkylindole - Indole - Aralkylamine - N-methylpyrrole - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Organopnictogen compound - Organic nitrogen compound - Primary amine - Organonitrogen compound - Amine - Primary aliphatic amine - Hydrocarbon derivative - 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

Chemical and Physical Properties

• Molecular Weight: 160.220 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 160.1 Da
• Monoisotopic Mass: 160.1 Da
• Topological Polar Surface Area: 31.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 158.000
• 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