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

CAS: 69980-24-1 Cat. No.: D474156 Formule: C₁₀H₁₁D₃N₂ Poids moléculaire: 165.26 Numéro CE: 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

Synonymes

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 (

Spécifications et pureté

≥99 atom% D,≥98%

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥99 atom% D,≥98%

Noms et identifiants

Pubchem Sid

504765561

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765561

Sourires canoniques

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

Isomères SMILES

[2H]C([2H])([2H])N1CCCC1C2=CN=CC=C2

CAS alternatif

22083-74-5（unlabelled）

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Light sensitive；Moisture sensitive；Heat sensitive
• Indice de réfraction: n20/D 1.5265 (lit.)
• Point d'ébullition (°C): 247 °C/745 mmHg (lit.)
• Poids moléculaire: 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