Azone - ≥97% , CAS No.59227-89-3

CAS: 59227-89-3 Cat. No.: A104374 Fórmula: C₁₈H₃₅NO Peso molecular: 281.48 Número CE: 261-668-9

GRAU & PUREZA ≥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

Visão geral

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.

Especificações

Sinónimos

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 Show more

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488183347

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

CCCCCCCCCCCCN1CCCCCC1=O

RTECS

CM3995000

Peso molecular

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
• Descrição: 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

Alvos associados (humanos)

Homo sapiens (32628 Activities)

Explore this target

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

Alvos associados (não humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: >Solubility: insoluble in water, soluble in ethanol, ether, acetone, and benzene
• Índice de refração: 1.460-1.473
• Ponto de inflamação (°C): 165 °C
• Ponto de ebulição (°C): 160 °C/0.6 mmHg
• Ponto de fusão (°C): -7°C(lit.)
• Peso molecular: 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