1-Hexadecylamine - ≥98% , CAS No.143-27-1

CAS: 143-27-1 Cat. No.: H118467 Formula: C₁₆H₃₅N Molecular Weight: 241.46 Beilstein Registry Number: 1634065 EC Number: 205-596-8

GRADE & PURITY ≥98%

Synonyms

Armeen 16D | NSC 8489 | Amine 16D | Tox21_112293 | D78357 | CHEBI:165594 | SCHEMBL19528 | Alamine 6 | DTXCID805390 | PALMITAMINE [INCI] | 1191245-82-5 | 1-Hexadecanamine | Tox21_112293_1 | 1-Aminohexadecane | SR-01000944746-1 | HEXADECANE,1-AMINO | NCGC00

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Armeen 16D | NSC 8489 | Amine 16D | Tox21_112293 | D78357 | CHEBI:165594 | SCHEMBL19528 | Alamine 6 | DTXCID805390 | PALMITAMINE [INCI] | 1191245-82-5 | 1-Hexadecanamine | Tox21_112293_1 | 1-Aminohexadecane | SR-01000944746-1 | HEXADECANE,1-AMINO | NCGC00

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

504751768

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751768

Canonical Smiles

CCCCCCCCCCCCCCCCN

IUPAC Name

hexadecan-1-amine

InChIKey

FJLUATLTXUNBOT-UHFFFAOYSA-N

INCHI

1S/C16H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-17H2,1H3

Isomeric SMILES

CCCCCCCCCCCCCCCCN

WGK Germany

2

RTECS

ML9100000

UN Number

3259

Packing Group

I

Molecular Weight

241.46

Beilstein

1634065

Reaxy-Rn

1634065

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1634065&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

Associated Targets(non-human)

Mycobacterium tuberculosis (203094 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Naaa N-acylethanolamine-hydrolyzing acid amidase (372 Activities)

Discover Target: Naaa

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Freezing Point(°C): 44 °C
• Refractive Index: 1.45
• Flash Point(°F): 284 °F
• Flash Point(°C): 140℃
• Boil Point(°C): 330℃
• Melt Point(°C): 46.77°C
• Molecular Weight: 241.460 g/mol
• XLogP3: 7.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 14
• Exact Mass: 241.277 Da
• Monoisotopic Mass: 241.277 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 123.000
• 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