hexylcaine - Moligand™ , CAS No.532-77-4

CAS: 532-77-4 Cat. No.: H610826 Summenformel: C₁₆H₂₃NO₂ Molekulargewicht: 261.36 EG-Nummer: 194-718-2 PubChem CID: 10770

GRADE & PURITY Moligand™

Synonyms

DB00473 | Osmocaine | Prestwick1_000788 | CHEBI:34791 | DTXSID1047863 | GTPL7196 | NCGC00179382-01 | Cyclain; Osmocaine | Prestwick3_000788 | 1-(cyclohexylamino)propan-2-yl benzoate | HEXYLCAINE | Prestwick2_000788 | BDBM50225698 | 2-Propanol, 1-(cyclohex

Storage

Room temperature

Specifications

Synonyme

DB00473 | Osmocaine | Prestwick1_000788 | CHEBI:34791 | DTXSID1047863 | GTPL7196 | NCGC00179382-01 | Cyclain; Osmocaine | Prestwick3_000788 | 1-(cyclohexylamino)propan-2-yl benzoate | HEXYLCAINE | Prestwick2_000788 | BDBM50225698 | 2-Propanol, 1-(cyclohex

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Namen und Kennungen

• Kanonisches Lächeln: CC(CNC1CCCCC1)OC(=O)C2=CC=CC=C2
• IUPAC Name: 1-(cyclohexylamino)propan-2-yl benzoate
• InChIKey: DKLKMKYDWHYZTD-UHFFFAOYSA-N
• INCHI: 1S/C16H23NO2/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3
• Isomere SMILES: CC(CNC1CCCCC1)OC(=O)C2=CC=CC=C2
• PubChem CID: 10770
• Molekulargewicht: 261.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Cyclohexylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Dialkylamines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Cyclohexylamine - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: benzoate ester

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

Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Scn2a Sodium channel alpha subunits; brain (Types I, II, III) (344 Activities)

Discover Target: Scn2a

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 261.360 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 261.173 Da
• Monoisotopic Mass: 261.173 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 268.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 532-77-4, the molecular formula is C16H23NO2, and the molecular weight is 261.36 g/mol. InChIKey DKLKMKYDWHYZTD-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.