(4-(1,2,4,5-Tetrazin-3-yl)phenyl)methanamine hydrochloride - ≥95% , CAS No.1416711-59-5

CAS: 1416711-59-5 Cat. No.: T587187 Molecular Weight: 223.66 EC Number: 856-804-4 PubChem CID: 86767671

GRADE & PURITY ≥95%

Synonyms

(4-(1,2,4,5-tetrazin-3-yl)phenyl)methanamine hydrochloride | 1-[4-(1,2,4,5-TETRAZIN-3-YL)PHENYL]METHANAMINE HYDROCHLORIDE | SY122744 | [4-(1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride | (4-?(1,?2,?4,?5-?tetrazin-?3-?yl)?phenyl)?methanamine HCL |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(4-(1, 2, 4, 5-tetrazin-3-yl)phenyl)methanamine hydrochloride | 1-[4-(1, 2, 4, 5-TETRAZIN-3-YL)PHENYL]METHANAMINE HYDROCHLORIDE | SY122744 | [4-(1, 2, 4, 5-tetrazin-3-yl)phenyl]methanamine;hydrochloride | (4-?(1, ?2, ?4, ?5-?tetrazin-?3-?yl)?phenyl)?methanamine HCL |

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504772510
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772510
• Canonical Smiles: C1=CC(=CC=C1CN)C2=NN=CN=N2.Cl
• IUPAC Name: [4-(1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride
• InChIKey: FAAUXGMWUKVOPI-UHFFFAOYSA-N
• INCHI: 1S/C9H9N5.ClH/c10-5-7-1-3-8(4-2-7)9-13-11-6-12-14-9;/h1-4,6H,5,10H2;1H
• Isomeric SMILES: C1=CC(=CC=C1CN)C2=NN=CN=N2.Cl
• PubChem CID: 86767671
• Molecular Weight: 223.66

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Tetrazines Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Tetrazine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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: moisture&light sensitive
• Molecular Weight: 223.660 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 223.062 Da
• Monoisotopic Mass: 223.062 Da
• Topological Polar Surface Area: 77.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 161.000
• 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: 2

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