(4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenyl)methanamine hydrochloride - ≥97% , CAS No.1596117-29-1

CAS: 1596117-29-1 Cat. No.: M587467 Molecular Weight: 237.69 EC Number: 972-520-4

GRADE & PURITY ≥97%

Synonyms

SCHEMBL16915167 | MFCD32061909 | 1596117-29-1 | TQP1157 | AT12392 | (4-(6-METHYL-1,2,4,5-TETRAZIN-3-YL)PHENYL)METHANAMINE HCL | 4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenylmethanamine HCl | LCZC1146 | A934392 | [4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methan

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

SCHEMBL16915167 | MFCD32061909 | 1596117-29-1 | TQP1157 | AT12392 | (4-(6-METHYL-1, 2, 4, 5-TETRAZIN-3-YL)PHENYL)METHANAMINE HCL | 4-(6-Methyl-1, 2, 4, 5-tetrazin-3-yl)phenylmethanamine HCl | LCZC1146 | A934392 | [4-(6-methyl-1, 2, 4, 5-tetrazin-3-yl)phenyl]methan

Specifications & Purity

≥97%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=NN=C(N=N1)C2=CC=C(C=C2)CN.Cl
• IUPAC Name: [4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;hydrochloride
• InChIKey: NIGOLWATPZTKQT-UHFFFAOYSA-N
• INCHI: 1S/C10H11N5.ClH/c1-7-12-14-10(15-13-7)9-4-2-8(6-11)3-5-9;/h2-5H,6,11H2,1H3;1H
• Isomeric SMILES: CC1=NN=C(N=N1)C2=CC=C(C=C2)CN.Cl
• Alternate CAS: 1345955-28-3
• Molecular Weight: 237.69
• Reaxy-Rn: 26752556
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26752556&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Tetrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Tetrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrazines
• Alternative Parents: Benzene and substituted derivatives Heteroaromatic compounds Formazans Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenoid - Tetrazine - Monocyclic benzene moiety - Heteroaromatic compound - Formazan - Azo compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Primary aliphatic amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as tetrazines. These are organic compounds containing a tetrazine ring, which is a six-membered aromatic heterocycle made up of four nitrogen atoms and a two carbon atoms.
• 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: light sensitive；Moisture sensitive；heat sensitive
• Molecular Weight: 237.690 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 237.078 Da
• Monoisotopic Mass: 237.078 Da
• Topological Polar Surface Area: 77.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 182.000
• 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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