7-Azagramine - ≥97% , CAS No.5654-92-2

CAS: 5654-92-2 Cat. No.: A134688 Summenformel: C₁₀H₁₃N₃ Molekulargewicht: 175.23 EG-Nummer: 623-496-6

GRADE & PURITY ≥97%

Synonyms

SCHEMBL46562 | SCHEMBL146895 | DIMETHYL-(1H-PYRROLO[2,3-B]-3-PYRIDINYLMETHYL)AMINE | dimethyl-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-amine | 3-dimethylaminomethyl- 1H-pyrrolo[2,3-b]pyridine | N,N-dimethyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine | 1H-Pyrr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

SCHEMBL46562 | SCHEMBL146895 | DIMETHYL-(1H-PYRROLO[2,3-B]-3-PYRIDINYLMETHYL)AMINE | dimethyl-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-amine | 3-dimethylaminomethyl- 1H-pyrrolo[2,3-b]pyridine | N,N-dimethyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine | 1H-Pyrr

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488195534
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195534
• Kanonisches Lächeln: CN(C)CC1=CNC2=C1C=CC=N2
• IUPAC Name: N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
• InChIKey: RFLCFQLBXWLHKX-UHFFFAOYSA-N
• INCHI: 1S/C10H13N3/c1-13(2)7-8-6-12-10-9(8)4-3-5-11-10/h3-6H,7H2,1-2H3,(H,11,12)
• Isomere SMILES: CN(C)CC1=CNC2=C1C=CC=N2
• WGK Deutschland: 3
• Molekulargewicht: 175.23
• Reaxy-Rn: 151971
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=151971&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyrrolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyridines
• Alternative Parents: Aralkylamines Substituted pyrroles Pyridines and derivatives Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Aralkylamine - Substituted pyrrole - Pyridine - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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

• Schmelzpunkt (°C): 144 - 149 °C
• Molekulargewicht: 175.230 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 175.111 Da
• Monoisotopic Mass: 175.111 Da
• Topological Polar Surface Area: 31.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 170.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 5654-92-2, the molecular formula is C10H13N3, and the molecular weight is 175.23 g/mol. InChIKey RFLCFQLBXWLHKX-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.