1-(DIMETHYLAMINO)-CYCLOHEXANECARBONITRILE , CAS No.16499-30-2

CAS: 16499-30-2 Cat. No.: D167757 分子式: C₉H₁₆N₂ 分子量: 152.241 EC番号: 634-085-6

Synonyms

1-cyanocyclohexyldimethylamine | LS-01647 | AKOS005171308 | FT-0679015 | MFCD00086186 | UNII-L8BPW3H92K | L8BPW3H92K | BRN 2802545 | Z447993672 | 4-14-00-00976 (Beilstein Handbook Reference) | 1-(Dimethylamino)cyclohexanecarbonitrile | 1-(DIMETHYLAMINO)-C

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

1-cyanocyclohexyldimethylamine | LS-01647 | AKOS005171308 | FT-0679015 | MFCD00086186 | UNII-L8BPW3H92K | L8BPW3H92K | BRN 2802545 | Z447993672 | 4-14-00-00976 (Beilstein Handbook Reference) | 1-(Dimethylamino)cyclohexanecarbonitrile | 1-(DIMETHYLAMINO)-C

保管条件

Room temperature

入荷

Normal

名前と識別子

• カノニカル・スマイル: CN(C)C1(CCCCC1)C#N
• IUPAC Name: 1-(dimethylamino)cyclohexane-1-carbonitrile
• InChIKey: SDHHZJUUIBWPPN-UHFFFAOYSA-N
• INCHI: 1S/C9H16N2/c1-11(2)9(8-10)6-4-3-5-7-9/h3-7H2,1-2H3
• 異性体SMILES: CN(C)C1(CCCCC1)C#N
• 分子量: 152.241
• Reaxy-Rn: 2802545
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802545&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Cyclohexylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Cyclohexylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclohexylamines
• Alternative Parents: Trialkylamines Alpha-aminonitriles Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexylamine - Alpha-aminonitrile - Tertiary aliphatic amine - Tertiary amine - Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Amine - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as cyclohexylamines. These are organic compounds containing a cyclohexylamine moiety, which consist of a cyclohexane ring attached to an amine group.
• 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

化学的性質と物理的性質

• 分子量: 152.240 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.131 Da
• Monoisotopic Mass: 152.131 Da
• Topological Polar Surface Area: 27.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 169.000
• 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

よくある質問

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 16499-30-2, the molecular formula is C9H16N2, and the molecular weight is 152.241 g/mol. InChIKey SDHHZJUUIBWPPN-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.