N-(4-Aminobutyl)-2-naphthalenesulfonamide Hydrochloride - ≥98% , CAS No.89108-46-3

CAS: 89108-46-3 Cat. No.: N304842 Molecular Weight: 314.83

GRADE & PURITY ≥98%

Synonyms

AS-69888 | A843069 | N-(4-Aminobutyl)-2-naphthalenesulfonamide HCl | W-12, Hydrochloride - CAS 89108-46-3 | N-(4-Aminobutyl)-2-naphthalenesulfonamide hydrochloride, analytical standard, for drug analysis | DTXSID10431684 | N-(4-Aminobutyl)-2-naphthalenesu

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AS-69888 | A843069 | N-(4-Aminobutyl)-2-naphthalenesulfonamide HCl | W-12, Hydrochloride - CAS 89108-46-3 | N-(4-Aminobutyl)-2-naphthalenesulfonamide hydrochloride, analytical standard, for drug analysis | DTXSID10431684 | N-(4-Aminobutyl)-2-naphthalenesu

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Calmodulin antagonist. CaM kinase inhibitor. W-5, W-7and W-13 , and analog. Shows five times less potent CaM kinase inhibition than W-13. Reversibly slows pollen tube elongation, alters organelle motility

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCN.Cl
• IUPAC Name: N-(4-aminobutyl)naphthalene-2-sulfonamide;hydrochloride
• InChIKey: WYFVKUWCEVMLOL-UHFFFAOYSA-N
• INCHI: 1S/C14H18N2O2S.ClH/c15-9-3-4-10-16-19(17,18)14-8-7-12-5-1-2-6-13(12)11-14;/h1-2,5-8,11,16H,3-4,9-10,15H2;1H
• Isomeric SMILES: C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCCN.Cl
• Molecular Weight: 314.83
• Reaxy-Rn: 8589783
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8589783&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthalene sulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthalene sulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-naphthalene sulfonic acids and derivatives
• Alternative Parents: 2-naphthalene sulfonamides Organosulfonamides Aminosulfonyl compounds Organopnictogen compounds Organic zwitterions Organic oxides Organic chloride salts Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthalene sulfonamide - Naphthalene sulfonamide - 2-naphthalene sulfonic acid or derivatives - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Amine - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Primary aliphatic amine - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 2-position. Naphthalene is a bicyclic compound that is made up of two fused benzene 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

Chemical and Physical Properties

• Sensitivity: Hygroscopic,Heat Sensitive
• Melt Point(°C): 183 °C
• Molecular Weight: 314.800 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 314.086 Da
• Monoisotopic Mass: 314.086 Da
• Topological Polar Surface Area: 80.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 364.000
• 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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