2-Amino-5-diethylaminopentane - ≥98% , CAS No.140-80-7

CAS: 140-80-7 Cat. No.: A110319 Molecular Weight: 158.28 EC Number: 205-435-1

GRADE & PURITY ≥98%

Synonyms

.delta.-Diethylaminoisopentylamine | A807694 | N-[(4-methylphenyl)sulfonyl]benzamide | NCIOpen2_008651 | 5-(Diethylamino)-2-pentylamine | MFCD00003088 | Q27274759 | N1,4-pentanediamine | 5-Diethylamino-2-aminopentane | .delta.-Diethylamino-.alpha.-methylb

Storage

Room temperature,Argon charged

Shipped In

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Overview

4-Amino-1-(diethylamino)pentane was used as a reagent in the synthesis of chromone-2-carboxamide derivatives which displayed cytotoxic activity against specific cancer cell lines.

Specifications

Synonyms

.delta.-Diethylaminoisopentylamine | A807694 | N-[(4-methylphenyl)sulfonyl]benzamide | NCIOpen2_008651 | 5-(Diethylamino)-2-pentylamine | MFCD00003088 | Q27274759 | N1, 4-pentanediamine | 5-Diethylamino-2-aminopentane | .delta.-Diethylamino-.alpha.-methylb

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCN(CC)CCCC(C)N
• IUPAC Name: 1-N,1-N-diethylpentane-1,4-diamine
• InChIKey: CAPCBAYULRXQAN-UHFFFAOYSA-N
• INCHI: 1S/C9H22N2/c1-4-11(5-2)8-6-7-9(3)10/h9H,4-8,10H2,1-3H3
• Isomeric SMILES: CCN(CC)CCCC(C)N
• WGK Germany: 1
• RTECS: XE1900000
• UN Number: 2946
• Packing Group: III
• Molecular Weight: 158.28
• Reaxy-Rn: 741890
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=741890&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 Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - 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: 1.4429
• Flash Point(°F): 154.4 °F
• Flash Point(°C): 68 °C
• Boil Point(°C): 101°C/37mmHg
• Molecular Weight: 158.280 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 158.178 Da
• Monoisotopic Mass: 158.178 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 79.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1