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

CAS: 5654-92-2 Cat. No.: A134688 Formule: C₁₀H₁₃N₃ Poids moléculaire: 175.23 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488195534

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195534

Sourires canoniques

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)

Isomères SMILES

CN(C)CC1=CNC2=C1C=CC=N2

WGK Allemagne

3

Poids moléculaire

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
    • Classe Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Point de fusion (°C): 144 - 149 °C
• Poids moléculaire: 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

Foire aux questions

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.