5-Norbornene-2-methylamine - ≥96%,mixture of isomers , CAS No.95-10-3

CAS: 95-10-3 Cat. No.: N159025 Molecular Weight: 123.2 EC Number: 805-883-3

GRADE & PURITY ≥96%, mixture of isomers

Synonyms

Bicyclo[2.2.1]hept-5-ene-2-methylamine | {bicyclo[2.2.1]hept-5-en-2-yl}methanamine | A917472 | EN300-218836 | HMS1704D11 | 1-(bicyclo[2.2.1]hept-5-en-2-yl)methanamine | DTXSID80289472 | 5-(Aminomethyl)bicyclo[2.2.1]hept-2-ene | FT-0679260 | 5-Norbornene-2

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Synonyms

Bicyclo[2.2.1]hept-5-ene-2-methylamine | {bicyclo[2.2.1]hept-5-en-2-yl}methanamine | A917472 | EN300-218836 | HMS1704D11 | 1-(bicyclo[2.2.1]hept-5-en-2-yl)methanamine | DTXSID80289472 | 5-(Aminomethyl)bicyclo[2.2.1]hept-2-ene | FT-0679260 | 5-Norbornene-2

Specifications & Purity

≥96%, mixture of isomers

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 488188992
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188992
• Canonical Smiles: C1C2CC(C1C=C2)CN
• IUPAC Name: 2-bicyclo[2.2.1]hept-5-enylmethanamine
• InChIKey: XLBALIGLOMYEKN-UHFFFAOYSA-N
• INCHI: 1S/C8H13N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5,9H2
• Isomeric SMILES: C1C2CC(C1C=C2)CN
• Molecular Weight: 123.2
• Reaxy-Rn: 3234274
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3234274&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 homopolycyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aliphatic homopolycyclic 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: 1.5
• Flash Point(°C): 72 °C
• Molecular Weight: 123.200 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 123.105 Da
• Monoisotopic Mass: 123.105 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 140.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• 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. Ke Zhou, Miao Feng, Hongli Mao, Zhongwei Gu.  (2022)  Photoclick polysaccharide-based bioinks with an extended biofabrication window for 3D embedded bioprinting.  Biomaterials Science,  10  (16): (4479-4491).  [PMID:35792832] [10.1039/D2BM00632D]