2-Ethylbutylamine - ≥98% , CAS No.617-79-8

CAS: 617-79-8 Cat. No.: E479248 Formula: C₆H₁₅N Molecular Weight: 101.19 EC Number: 210-530-6

GRADE & PURITY ≥98%

Synonyms

2-Ethylbutan-1-amine | 2-ethyl-N-butylamine | EINECS 210-530-6 | MFCD00040755 | DTXSID00210703 | InChI=1/C6H15N/c1-3-6(4-2)5-7/h6H,3-5,7H2,1-2H3 | 2-Ethyl-1-butanamine | E89251 | 3-(aminomethyl)pentane | STR06669 | FT-0612

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

2-Ethylbutan-1-amine | 2-ethyl-N-butylamine | EINECS 210-530-6 | MFCD00040755 | DTXSID00210703 | InChI=1/C6H15N/c1-3-6(4-2)5-7/h6H,3-5,7H2,1-2H3 | 2-Ethyl-1-butanamine | E89251 | 3-(aminomethyl)pentane | STR06669 | FT-0612

Specifications & Purity

≥98%

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCC(CC)CN
• IUPAC Name: 2-ethylbutan-1-amine
• InChIKey: MGWAGIQQTULHGU-UHFFFAOYSA-N
• INCHI: 1S/C6H15N/c1-3-6(4-2)5-7/h6H,3-5,7H2,1-2H3
• Isomeric SMILES: CCC(CC)CN
• Molecular Weight: 101.19
• Reaxy-Rn: 1731296
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731296&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic 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

Chemical and Physical Properties

• Molecular Weight: 101.190 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 101.12 Da
• Monoisotopic Mass: 101.12 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 31.200
• 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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 617-79-8, the molecular formula is C6H15N, and the molecular weight is 101.19 g/mol. InChIKey MGWAGIQQTULHGU-UHFFFAOYSA-N.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.