Nicotine-d4 - ≥98 atom% D,≥98% , CAS No.350818-69-8

CAS: 350818-69-8 Cat. No.: N334654 분자식: C₁₀H₁₀D₄N₂ 분자량: 166.26 EC 번호: 694-354-9

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

J-019856 | 2,3,4,6-tetradeuterio-5-(1-methylpyrrolidin-2-yl)pyridine | 3-(1-methylpyrrolidin-2-yl)(?H?)pyridine | Nicotine-d4 | SCHEMBL13332287 | (+/-)-NICOTINE-D4 | AKOS030241960 | DTXSID20662144 | A935321 | rac-Nicotine-d4 | ()-Nicotine-2,4,5,6-d4 (pyri

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

개요

Nicotine-d4 is a Nicotine deuterated analog.

Specifications

동의어

J-019856 | 2,3,4,6-tetradeuterio-5-(1-methylpyrrolidin-2-yl)pyridine | 3-(1-methylpyrrolidin-2-yl)(?H?)pyridine | Nicotine-d4 | SCHEMBL13332287 | (+/-)-NICOTINE-D4 | AKOS030241960 | DTXSID20662144 | A935321 | rac-Nicotine-d4 | ()-Nicotine-2,4,5,6-d4 (pyri

사양 및 순도

≥98 atom% D,≥98%

보관 조건

Protected from light,Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥98 atom% D,≥98%

이름과 식별자

• Pubchem Sid: 488201118
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201118
• 정식 스마일: CN1CCCC1C2=CN=CC=C2
• IUPAC Name: 2,3,4,6-tetradeuterio-5-(1-methylpyrrolidin-2-yl)pyridine
• InChIKey: SNICXCGAKADSCV-MNYIHESISA-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/i2D,4D,6D,8D
• 이성체 SMILES: [2H]C1=C(C(=C(N=C1[2H])[2H])C2CCCN2C)[2H]
• 분자량: 166.26
• 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
    • 분류 Pyridines and derivatives
      • Subclass Pyrrolidinylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in Chloroform
• 감도: Light sensitive；Hygroscopic
• 분자량: 166.260 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 166.141 Da
• Monoisotopic Mass: 166.141 Da
• Topological Polar Surface Area: 16.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 147.000
• Isotope Atom Count: 4
• 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