N,N-Diisopropylmethylamine - ≥98%(GC) , CAS No.10342-97-9

CAS: 10342-97-9 Cat. No.: I165554 Molecular Weight: 115.22 EC Number: 600-434-6

GRADE & PURITY ≥98%(GC)

Synonyms

Diethylamine, N,1,1'-trimethyl- | FT-0625001 | diisopropyl methylamine | methylbis(propan-2-yl)amine | Diisopropylmethylamine | Diisopropyl-methyl-amine | 2-Propanamine, N-methyl-N-(1-methylethyl)- | J-000964 | N-methyl-N-propan-2-ylpropan-2-amine | SCHEM

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

Diethylamine, N, 1, 1'-trimethyl- | FT-0625001 | diisopropyl methylamine | methylbis(propan-2-yl)amine | Diisopropylmethylamine | Diisopropyl-methyl-amine | 2-Propanamine, N-methyl-N-(1-methylethyl)- | J-000964 | N-methyl-N-propan-2-ylpropan-2-amine | SCHEM

Specifications & Purity

≥98%(GC)

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504759209
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759209
• Canonical Smiles: CC(C)N(C)C(C)C
• IUPAC Name: N-methyl-N-propan-2-ylpropan-2-amine
• InChIKey: ISRXMEYARGEVIU-UHFFFAOYSA-N
• INCHI: 1S/C7H17N/c1-6(2)8(5)7(3)4/h6-7H,1-5H3
• Isomeric SMILES: CC(C)N(C)C(C)C
• WGK Germany: 3
• Molecular Weight: 115.22
• Reaxy-Rn: 1731609
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731609&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Trialkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three 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

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.411
• Flash Point(°F): 50 °F
• Flash Point(°C): 10 °C
• Molecular Weight: 115.220 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 115.136 Da
• Monoisotopic Mass: 115.136 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 49.400
• 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

References

1. Kai Wang, Wentao Zhou, Xiangyu Jin, Xuwei Shang, Xiaomei Wu, Lijuan Wen, Sufen Li, Yiling Hong, Jia Ke, Yichong Xu, Hong Yuan, Fuqiang Hu.  (2023)  Enhanced brain delivery of hypoxia-sensitive liposomes by hydroxyurea for rescue therapy of hyperacute ischemic stroke.  Nanoscale,  15  (27): (11625-11646).  [PMID:37377137] [10.1039/D3NR01071F]