DL-Nicotine-(methyl-d₃) - ≥99 atom% D,≥98% , CAS No.69980-24-1

CAS: 69980-24-1 Cat. No.: D474156 Formula: C₁₀H₁₁D₃N₂ Peso molecolare: 165.26 Numero EC: 689-510-8

GRADE & PURITY ≥99 atom% D,≥98%

Synonyms

1-Methyl-d3-2-(3-pyridyl)-pyrrolidine | rac-Nicotine-d3 | Pyridine,3-[1-(methyl-d3)-2-pyrrolidinyl]-(9ci) | 3-[1-(?H?)methylpyrrolidin-2-yl]pyridine | DTXSID80442666 | (+/-)-Nicotine-d3 (N-methyl-d3) | A935320 | (+/-)-Nicotine-methyl-d3 | ()-Nicotine-d3 (

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

1-Methyl-d3-2-(3-pyridyl)-pyrrolidine | rac-Nicotine-d3 | Pyridine,3-[1-(methyl-d3)-2-pyrrolidinyl]-(9ci) | 3-[1-(?H?)methylpyrrolidin-2-yl]pyridine | DTXSID80442666 | (+/-)-Nicotine-d3 (N-methyl-d3) | A935320 | (+/-)-Nicotine-methyl-d3 | ()-Nicotine-d3 (

Specifiche e purezza

≥99 atom% D,≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99 atom% D,≥98%

Nomi e identificatori

• Pubchem Sid: 504765561
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765561
• Sorrisi canonici: CN1CCCC1C2=CN=CC=C2
• IUPAC Name: 3-[1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine
• InChIKey: SNICXCGAKADSCV-FIBGUPNXSA-N
• INCHI: 1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/i1D3
• Isomeri SMILES: [2H]C([2H])([2H])N1CCCC1C2=CN=CC=C2
• CAS alternativo: 22083-74-5（unlabelled）
• Peso molecolare: 165.26
• Reaxy-Rn: 82108
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=82108&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyrrolidinylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyrrolidinylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidinylpyridines
• Alternative Parents: Alkaloids and derivatives Aralkylamines N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrrolidinylpyridine - Alkaloid or derivatives - Aralkylamine - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrrolidinylpyridines. These are compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine 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

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive；Moisture sensitive；Heat sensitive
• Indice di rifrazione: n20/D 1.5265 (lit.)
• Punto di ebollizione (°C): 247 °C/745 mmHg (lit.)
• Peso molecolare: 165.250 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 165.135 Da
• Monoisotopic Mass: 165.135 Da
• Topological Polar Surface Area: 16.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 147.000
• Isotope Atom Count: 3
• 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: 1