5-aminogramine - ≥95% , CAS No.3414-74-2

CAS: 3414-74-2 Cat. No.: A478977 Summenformel: C₁₁H₁₅N₃ Molekulargewicht: 189.26 EG-Nummer: 108-844-2

GRADE & PURITY ≥95%

Synonyms

3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-5-AMINE | DTXSID30187737 | BRN 0393962 | 5-Amino-3-((dimethylamino)methyl)indole | 3-((Dimethylamino)methyl)-5-indoleamine | 5-Graminylamine | 1H-Indole-3-methanamine, 5-amino-N,N-dimethyl- | AKOS005258827 | 5-aminogrami

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Specifications

Synonyme

3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-5-AMINE | DTXSID30187737 | BRN 0393962 | 5-Amino-3-((dimethylamino)methyl)indole | 3-((Dimethylamino)methyl)-5-indoleamine | 5-Graminylamine | 1H-Indole-3-methanamine, 5-amino-N,N-dimethyl- | AKOS005258827 | 5-aminogrami

Spezifikationen & Reinheit

≥95%

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: CN(C)CC1=CNC2=C1C=C(C=C2)N
• IUPAC Name: 3-[(dimethylamino)methyl]-1H-indol-5-amine
• InChIKey: LXCLCCAAPPKYBS-UHFFFAOYSA-N
• INCHI: 1S/C11H15N3/c1-14(2)7-8-6-13-11-4-3-9(12)5-10(8)11/h3-6,13H,7,12H2,1-2H3
• Isomere SMILES: CN(C)CC1=CNC2=C1C=C(C=C2)N
• Molekulargewicht: 189.26
• Reaxy-Rn: 393962
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=393962&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 189.260 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 189.127 Da
• Monoisotopic Mass: 189.127 Da
• Topological Polar Surface Area: 45.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 193.000
• 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