Diisopropylamine - Standard for GC, ≥99.5%(GC) , CAS No.108-18-9

CAS: 108-18-9 Cat. No.: D108297 Molecular Weight: 101.19 Beilstein Registry Number: 605284 EC Number: 203-558-5

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

DIISOPROPYLAMINE|108-18-9|N-(1-Methylethyl)-2-propanamine|N,N-Diisopropylamine|2-Propanamine, N-(1-methylethyl)-|N-propan-2-ylpropan-2-amine|N-isopropylpropan-2-amine|diisopropyl amine|N-Isopropyl-1-amino-2-methylethane|bis(isopropyl)amine|NSC 6758|CCRIS

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

Synonyms

DIISOPROPYLAMINE | 108-18-9 | N-(1-Methylethyl)-2-propanamine | N, N-Diisopropylamine | 2-Propanamine, N-(1-methylethyl)- | N-propan-2-ylpropan-2-amine | N-isopropylpropan-2-amine | diisopropyl amine | N-Isopropyl-1-amino-2-methylethane | bis(isopropyl)amine | NSC 6758 | CCRIS

Specifications & Purity

Standard for GC, ≥99.5%(GC)

Storage

Room temperature, Desiccated

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Standard for GC

Purity

≥99.5%(GC)

Names and Identifiers

• Canonical Smiles: CC(C)NC(C)C
• IUPAC Name: N-propan-2-ylpropan-2-amine
• InChIKey: UAOMVDZJSHZZME-UHFFFAOYSA-N
• INCHI: 1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3
• Isomeric SMILES: CC(C)NC(C)C
• WGK Germany: 2
• RTECS: IM4025000
• UN Number: 1158
• Packing Group: II
• Molecular Weight: 101.19
• Beilstein: 605284
• Reaxy-Rn: 605284
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605284&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Secondary amines
          • Level6 Dialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Secondary amines
• Direct Parent: Dialkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
• 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(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: Slightly soluble in water, soluble in most organic solvents.
• Refractive Index: 1.392
• Flash Point(°F): 7.8 °F - closed cup
• Flash Point(°C): -17°C
• Boil Point(°C): 84°C
• Melt Point(°C): -61°C
• Molecular Weight: 101.190 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 101.12 Da
• Monoisotopic Mass: 101.12 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 33.400
• 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

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