Azone - ≥97% , CAS No.59227-89-3

CAS: 59227-89-3 Cat. No.: A104374 Formule: C₁₈H₃₅NO Poids moléculaire: 281.48 Numéro CE: 261-668-9

QUALITÉ & PURETÉ ≥97%

Synonyms

Laurocapram [USAN:INN]|Laurocapram (water soluble)|N-n-dodecylcaprolactam|1-dodecylazacycloheptane-2-one|Azone|2H-AZEPIN-2-ONE, HEXAHYDRO-N-LAURYL-|Laurocapram (USAN/INN)|N-dodecyl-.epsilon.-caprolactam|LAUROCAPRAM [INCI]|Laurocapram,(S)|LAUROCAPRAM [HSDB]|N-Dodecylcaprolactam|USAF ND-72|Laurocapramum [Latin]|TraZone|1-dodecyl-2-azepanone|1-Dodecylazacycloheptan-2-one|1-Dodecylhexahydro-2H-azepin-2-one|Laurocapramum|N-Dodecyl-epsilon-caprolactam|Tranzone|LAUROCAPRAM [INN]|1-dodecylazepan-2-one|1-n-Dodecylazacycloheptan-2-One|Laurocapram|LAUROCAPRAM [MI]|LAUROCAPRAM [USAN]|N-Lauryl caprolactam

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

This product is readily soluble in anhydrous ethanol, ethyl acetate, ether, benzene, and cyclohexane, but insoluble in water. Azone is a novel, highly efficient, safe, and non-toxic transdermal absorption enhancer, exhibiting significant permeation-enhancing effects on both hydrophilic and lipophilic drugs. It can be widely used in the pharmaceutical, cosmetic, pesticide, aerosol, printing and dyeing, and petroleum exploration industries. This product possesses advantages such as strong penetration, colorlessness, odorlessness, non-toxicity, and non-irritation.

Spécifications

Synonymes

Laurocapram [USAN:INN] | Laurocapram (water soluble) | N-n-dodecylcaprolactam | 1-dodecylazacycloheptane-2-one | Azone | 2H-AZEPIN-2-ONE, HEXAHYDRO-N-LAURYL- | Laurocapram (USAN/INN) | N-dodecyl-.epsilon.-caprolactam | LAUROCAPRAM [INCI] | Laurocapram,(S) | LAUROCAPRAM [HSDB] | N-Dodecylcaprolactam | USAF ND-72 | Laurocapramum [Latin] | T Afficher plus

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

488183347

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183347

Sourires canoniques

CCCCCCCCCCCCN1CCCCCC1=O

IUPAC Name

1-dodecylazepan-2-one

InChIKey

AXTGDCSMTYGJND-UHFFFAOYSA-N

INCHI

1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-13-16-19-17-14-11-12-15-18(19)20/h2-17H2,1H3

Isomères SMILES

CCCCCCCCCCCCN1CCCCCC1=O

RTECS

CM3995000

Poids moléculaire

281.48

Reaxy-Rn

167211

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=167211&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Lactams
      • Subclass Caprolactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Lactams
• Subclass: Caprolactams
• Intermediate Tree Nodes: Not available
• Direct Parent: Caprolactams
• Alternative Parents: Azepanes Tertiary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Caprolactam - Azepane - Tertiary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as caprolactams. These are cyclic amides of caproic acid. Caproic acid is the carboxylic acid derived from hexane with the general formula C5H11COOH.
• 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

Cibles associées (humaines)

Homo sapiens (32628 Activities)

Explore this target

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

Cibles associées (non humaines)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: >Solubility: insoluble in water, soluble in ethanol, ether, acetone, and benzene
• Indice de réfraction: 1.460-1.473
• Point d'éclair (°C): 165 °C
• Point d'ébullition (°C): 160 °C/0.6 mmHg
• Point de fusion (°C): -7°C(lit.)
• Poids moléculaire: 281.500 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 11
• Exact Mass: 281.272 Da
• Monoisotopic Mass: 281.272 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 240.000
• 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: 1