(R)-(+)-Bornylamine - ≥97% , CAS No.32511-34-5

CAS: 32511-34-5 Cat. No.: R469087 Molecular Weight: 153.26 EC Number: 251-076-9 PubChem CID: 6553267

GRADE & PURITY ≥97%

Synonyms

(R)-(+)-Bornylamine | (R)-(+)-Bornylamine, purum, >=97.0% (NT) | rel-(1R,2S,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-amine | AKOS015915781 | (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine | DTXSID30947530 | MDFWXZBEVCOVIO-WEDXCCLWSA-N | AS-81150

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Description

(R)-(+)-Bornylamine in the presence of acetonitrile as a solvent and tetraethylammonium bromide as the bromide ion source, may be used in the crystallization-induced chiral inversion of (S)-2-bromo-3-phenylpropanoic acid to its (R)-enantiomer. It may also be used to synthesizetrans-bis{(R)-(+)-bornylamino}palladium(II) dichloride, a palladium(II) complex with potent antitumor activity.

Specifications

Synonyms

(R)-(+)-Bornylamine | (R)-(+)-Bornylamine, purum, >=97.0% (NT) | rel-(1R, 2S, 4R)-1, 7, 7-Trimethylbicyclo[2.2.1]heptan-2-amine | AKOS015915781 | (1R, 2S, 4R)-1, 7, 7-trimethylbicyclo[2.2.1]heptan-2-amine | DTXSID30947530 | MDFWXZBEVCOVIO-WEDXCCLWSA-N | AS-81150

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1(C2CCC1(C(C2)N)C)C
• IUPAC Name: (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
• InChIKey: MDFWXZBEVCOVIO-WEDXCCLWSA-N
• INCHI: 1S/C10H19N/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8H,4-6,11H2,1-3H3/t7-,8+,10+/m1/s1
• Isomeric SMILES: C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2N
• WGK Germany: 3
• PubChem CID: 6553267
• Molecular Weight: 153.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Bicyclic monoterpenoid - Bornane monoterpenoid - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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)

Influenza A virus (11224 Activities)

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

MDCK (10148 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 153.260 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 153.152 Da
• Monoisotopic Mass: 153.152 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 185.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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