3-Aminopyridine - analytical standard , CAS No.462-08-8

CAS: 462-08-8 Cat. No.: A107135 Molecular Weight: 94.11 Beilstein Registry Number: 105692 EC Number: 207-322-2

GRADE & PURITY Analytical standard

Synonyms

3-AMINOPYRIDINE|462-08-8|pyridin-3-amine|3-Pyridinamine|3-Pyridylamine|m-Aminopyridine|Amino-3 pyridine|pyridin-3-ylamine|3-amino pyridine|beta-Aminopyridine|Pyridine, 3-amino-|.beta.-Aminopyridine|3-Pyridinylamine|pyridin-3-yl-amine|MFCD00006400|UN2671|C

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

Synonyms

3-AMINOPYRIDINE | 462-08-8 | pyridin-3-amine | 3-Pyridinamine | 3-Pyridylamine | m-Aminopyridine | Amino-3 pyridine | pyridin-3-ylamine | 3-amino pyridine | beta-Aminopyridine | Pyridine, 3-amino- | .beta.-Aminopyridine | 3-Pyridinylamine | pyridin-3-yl-amine | MFCD00006400 | UN2671 | C

Specifications & Purity

analytical standard

Storage

Room temperature, Desiccated

Shipped In

FedEx DG Service

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

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: C1=CC(=CN=C1)N
• IUPAC Name: pyridin-3-amine
• InChIKey: CUYKNJBYIJFRCU-UHFFFAOYSA-N
• INCHI: 1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2
• Isomeric SMILES: C1=CC(=CN=C1)N
• WGK Germany: 3
• RTECS: US1650000
• Alternate CAS: 462-08-08,462-08-8,73074-20-1 (mono-hydrochloride)
• NSC Number: 15040
• UN Number: 2671
• Packing Group: II
• MeSH Entry Terms: 3-aminopyridine;3-aminopyridine monohydrochloride;beta-aminopyridine
• Molecular Weight: 94.11
• Beilstein: 105692
• Reaxy-Rn: 105692
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105692&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Aminopyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to a pyridine ring.
• 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(Human)

DAO Tchem D-amino-acid oxidase (802 Activities)

Discover Target: DAO

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

DDO Tchem D-aspartate oxidase (120 Activities)

Discover Target: DDO

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

Associated Targets(non-human)

Human immunodeficiency virus 1 (70413 Activities)

Explore this target

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

botA Botulinum neurotoxin type A (1303 Activities)

Discover Target: botA

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Hygroscopic.
• Flash Point(°F): 190.4 °F
• Flash Point(°C): 124 °C
• Boil Point(°C): 252°C
• Melt Point(°C): 64.5°C
• Molecular Weight: 94.110 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 94.0531 Da
• Monoisotopic Mass: 94.0531 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 54.000
• 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

References

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2. Jingkai Liu, Liyue Zhang, Xinbei Zhu, Qing Chen, Kan Zhang, Xiaoqing Liu.  (2023)  Design of a Low-Temperature Ring-Opening Benzoxazine System Using a Supramolecular Hydrogen-Bond Structure.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.3c01107]

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10. Guang-Zhen Zou, Hong Gao, Jian-Lan Liu, Shun-Ping Zhao, Zheng-Fang Tian, Xiao-Ming Ren.  (2013)  Novel dielectric relaxation behaviors driven by host–guest interactions in intercalated compounds of kaolinite with aminopyridine isomers.  RSC Advances,  3  (45): (23596-23603).  [PMID:] [10.1039/C3RA40579F]

11. Shuliang Chen, Li Zhao, Xinrong Li, Zhen Chen, Xianzhi Hu, Futing Zi.  (2024)  Constructing a cationic pyridine for the highly selective and efficient recovery of gold from waste printed circuit boards.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.149325]

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