3-Picolylamine - ≥99%(GC) , CAS No.3731-52-0

CAS: 3731-52-0 Cat. No.: P160053 Formula: C₆H₈N₂ Molecular Weight: 108.14 Beilstein Registry Number: 108056 EC Number: 223-091-0 PubChem CID: 31018

GRADE & PURITY ≥99%(GC)

Synonyms

1-(Pyridin-3-yl)methanamine | AB00752 | NSC 59706 | PICOLAMINE [WHO-DD] | Picolaminum [INN-Latin] | Z104474366 | AC-3071 | Picolamine [INN:DCF] | NCGC00166118-01 | pyridin-3-ylmethyl amine | HMS3264A22 | 3-picolyl amine | Picolamine | 1-Naphthol 2,3,4-Tri

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

1-(Pyridin-3-yl)methanamine | AB00752 | NSC 59706 | PICOLAMINE [WHO-DD] | Picolaminum [INN-Latin] | Z104474366 | AC-3071 | Picolamine [INN:DCF] | NCGC00166118-01 | pyridin-3-ylmethyl amine | HMS3264A22 | 3-picolyl amine | Picolamine | 1-Naphthol 2,3,4-Tri

Specifications & Purity

≥99%(GC)

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥99%(GC)

Names and Identifiers

• Pubchem Sid: 488183123
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183123
• Canonical Smiles: C1=CC(=CN=C1)CN
• IUPAC Name: pyridin-3-ylmethanamine
• InChIKey: HDOUGSFASVGDCS-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2
• Isomeric SMILES: C1=CC(=CN=C1)CN
• WGK Germany: 3
• PubChem CID: 31018
• UN Number: 2735
• Packing Group: III
• Molecular Weight: 108.14
• Beilstein: 108056
• Reaxy-Rn: 108056

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aralkylamines
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aralkylamine - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Fully miscible in water. Soluble in chloroform, ethyl acetate and methanol.
• Sensitivity: air sensitive
• Refractive Index: 1.55
• Flash Point(°F): 226.4 °F
• Flash Point(°C): 108 °C
• Boil Point(°C): 73-74°C/1mmHg
• Melt Point(°C): -21 °C
• Molecular Weight: 108.140 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 108.069 Da
• Monoisotopic Mass: 108.069 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 63.500
• 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