3-Benzylpyridine - ≥97% , CAS No.620-95-1

CAS: 620-95-1 Cat. No.: B152131 Summenformel: C₁₂H₁₁N Molekulargewicht: 169.23 Beilstein Registry Number: 20(5)7,560 EG-Nummer: 210-661-9

GRADE & PURITY ≥97%

Synonyms

Pyridine, 3-(phenylmethyl)- | A868557 | EINECS 210-661-9 | FT-0615108 | Z1255485321 | MFCD00006408 | 3-benzyl pyridine | 3-(Benzyl)pyridine | SCHEMBL177863 | AMY32547 | F13538 | AS-47383 | AKOS000279584 | B1553 | InChI=1/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Pyridine, 3-(phenylmethyl)- | A868557 | EINECS 210-661-9 | FT-0615108 | Z1255485321 | MFCD00006408 | 3-benzyl pyridine | 3-(Benzyl)pyridine | SCHEMBL177863 | AMY32547 | F13538 | AS-47383 | AKOS000279584 | B1553 | InChI=1/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488181551
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181551
• Kanonisches Lächeln: C1=CC=C(C=C1)CC2=CN=CC=C2
• IUPAC Name: 3-benzylpyridine
• InChIKey: UUCLVSDUMKMBSM-UHFFFAOYSA-N
• INCHI: 1S/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-8,10H,9H2
• Isomere SMILES: C1=CC=C(C=C1)CC2=CN=CC=C2
• Molekulargewicht: 169.23
• Beilstein: 20(5)7,560
• Reaxy-Rn: 115898
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115898&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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): 30 °C
• Molekulargewicht: 169.220 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 169.089 Da
• Monoisotopic Mass: 169.089 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 138.000
• 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 620-95-1, the molecular formula is C12H11N, and the molecular weight is 169.23 g/mol. InChIKey UUCLVSDUMKMBSM-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.