3-[(Dimethylamino)methyl]-1，2，3，9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride - ≥95% , CAS No.119812-29-2

CAS: 119812-29-2 Cat. No.: M771058 Molecular Weight: 292.8 Beilstein Registry Number: 11612579 EC Number: 658-038-4 PubChem CID: 21976925

GRADE & PURITY ≥95%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CN1C2=C(C3=CC=CC=C31)C(=O)C(CC2)CN(C)C.Cl
• IUPAC Name: 3-[(dimethylamino)methyl]-9-methyl-2,3-dihydro-1H-carbazol-4-one;hydrochloride
• InChIKey: GFQLILQFQHMEPF-UHFFFAOYSA-N
• INCHI: 1S/C16H20N2O.ClH/c1-17(2)10-11-8-9-14-15(16(11)19)12-6-4-5-7-13(12)18(14)3;/h4-7,11H,8-10H2,1-3H3;1H
• Isomeric SMILES: CN1C2=C(C3=CC=CC=C31)C(=O)C(CC2)CN(C)C.Cl
• WGK Germany: 3
• PubChem CID: 21976925
• Molecular Weight: 292.8
• Beilstein: 11612579

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: N-alkylindoles Indoles Aryl alkyl ketones Aralkylamines N-methylpyrroles Benzenoids Vinylogous amides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - N-alkylindole - Indole - Aryl alkyl ketone - Aryl ketone - Aralkylamine - N-methylpyrrole - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Ketone - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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: 292.800 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 292.134 Da
• Monoisotopic Mass: 292.134 Da
• Topological Polar Surface Area: 25.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 355.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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