N,N-Diethylaniline - ≥99%(GC) , CAS No.91-66-7

CAS: 91-66-7 Cat. No.: D111035 Formula: C₁₀H₁₅N Molecular Weight: 149.23 Beilstein Registry Number: 742483 EC Number: 202-088-8

GRADE & PURITY ≥99%(GC)

Synonyms

F0001-2220 | MLS002303040 | diethyl aniline | HMS3039C12 | MFCD31699978 | N,N-Diethylaminobenzene | Phenyldiethylamine | NCGC00091331-02 | N,N-Dethylanlne | Diaethylanilin [German] | Benzenamine, N,N-diethyl- | N,N-diethyianiline | Tox21_300569 | HSDB 163

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Overview

N,N-Diethylaniline was used in one-pot synthesis of oxazol-5(4H)-ones. It was used in the synthesis of azo disperse dyes[1]. It was used to prepare 6′-prenylisoflavone via Claisen rearrangement.

Specifications

Synonyms

F0001-2220 | MLS002303040 | diethyl aniline | HMS3039C12 | MFCD31699978 | N,N-Diethylaminobenzene | Phenyldiethylamine | NCGC00091331-02 | N,N-Dethylanlne | Diaethylanilin [German] | Benzenamine, N,N-diethyl- | N,N-diethyianiline | Tox21_300569 | HSDB 163

Specifications & Purity

≥99%(GC)

Storage

Protected from light,Room temperature,Argon charged

Shipped In

FedEx DG Service

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 488180268
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180268
• Canonical Smiles: CCN(CC)C1=CC=CC=C1
• IUPAC Name: N,N-diethylaniline
• InChIKey: GGSUCNLOZRCGPQ-UHFFFAOYSA-N
• INCHI: 1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
• Isomeric SMILES: CCN(CC)C1=CC=CC=C1
• WGK Germany: 2
• RTECS: BX3400000
• UN Number: 2432
• Packing Group: III
• Molecular Weight: 149.23
• Beilstein: 742483
• Reaxy-Rn: 742483
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742483&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aniline and substituted anilines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic 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

Associated Targets(Human)

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Miscible with water and acetone. Slightly miscible with chloroform, alcohol and ether.
• Sensitivity: light sensitive；air sensitive
• x_refractive_index: 1.542
• x_flash_point_drop_fahrenheit: 190.4 °F
• x_flash_point_drop_centigrade: 92 °C
• x_boil_point_char: 217°C
• x_melt_point_char: -38°C
• Molecular Weight: 149.230 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 149.12 Da
• Monoisotopic Mass: 149.12 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 91.000
• 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

Frequently Asked Questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 91-66-7, the molecular formula is C10H15N, and the molecular weight is 149.23 g/mol. InChIKey GGSUCNLOZRCGPQ-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.