4-Heptylamine - ≥98%(GC)(T) , CAS No.16751-59-0

CAS: 16751-59-0 Cat. No.: H156930 Molecular Weight: 115.22 EC Number: 240-814-5

GRADE & PURITY ≥98%(GC)(T)

Synonyms

(1-propylbutyl)amine | STK520612 | 1-Propylbutylamine, AldrichCPR | BBL003306 | EINECS 240-814-5 | 4-Heptanamine | Butylamine, 1-propyl- | SY024496 | 1-Propylbutanamine | AMY3864 | SCHEMBL284709 | J-010376 | 4-04-00-00745 (Beilstein Handbook Reference) |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

(1-propylbutyl)amine | STK520612 | 1-Propylbutylamine, AldrichCPR | BBL003306 | EINECS 240-814-5 | 4-Heptanamine | Butylamine, 1-propyl- | SY024496 | 1-Propylbutanamine | AMY3864 | SCHEMBL284709 | J-010376 | 4-04-00-00745 (Beilstein Handbook Reference) |

Specifications & Purity

≥98%(GC)(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)(T)

Names and Identifiers

• Pubchem Sid: 504753574
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753574
• Canonical Smiles: CCCC(CCC)N
• IUPAC Name: heptan-4-amine
• InChIKey: CLJMMQGDJNYDER-UHFFFAOYSA-N
• INCHI: 1S/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3
• Isomeric SMILES: CCCC(CCC)N
• RTECS: EO6025000
• Molecular Weight: 115.22
• Reaxy-Rn: 1697157
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697157&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

• Sensitivity: air sensitive
• Refractive Index: 1.42
• Flash Point(°C): 41 °C
• Boil Point(°C): 140°C
• Molecular Weight: 115.220 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 115.136 Da
• Monoisotopic Mass: 115.136 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 37.700
• 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