ambroxol - ≥99% , CAS No.18683-91-5

CAS: 18683-91-5 Cat. No.: A132935 Fórmula: C₁₃H₁₈Br₂N₂O Peso molecular: 378.1 Número CE: 242-500-3

GRADE & PURITY ≥99%

Synonyms

AKOS027338704 | HMS2089D06 | 1217679-83-8 | cis-4-(((2-Amino-3,5-dibromophenyl)methyl)amino)cyclohexanol | MLS001306470 | Bisolvon metabolite VIII | Cyclohexanol, 4-(((2-amino-3,5-dibromophenyl)methyl)amino)-, cis- | MFCD28143339 | trans-4-((2-Amino-3,5-d

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS027338704 | HMS2089D06 | 1217679-83-8 | cis-4-(((2-Amino-3,5-dibromophenyl)methyl)amino)cyclohexanol | MLS001306470 | Bisolvon metabolite VIII | Cyclohexanol, 4-(((2-amino-3,5-dibromophenyl)methyl)amino)-, cis- | MFCD28143339 | trans-4-((2-Amino-3,5-d

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

• Pubchem Sid: 488179665
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179665
• Sorrisos canónicos: C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O
• IUPAC Name: 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol
• InChIKey: JBDGDEWWOUBZPM-UHFFFAOYSA-N
• INCHI: 1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2
• SMILES isoméricas: C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O
• Peso molecular: 378.1
• Reaxy-Rn: 2218445
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2218445&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines 2-bromoanilines Cyclohexylamines Cyclohexanols Bromobenzenes Aralkylamines Aryl bromides Cyclic alcohols and derivatives Dialkylamines Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Aniline or substituted anilines - 2-bromoaniline - Phenylmethylamine - Bromobenzene - Aralkylamine - Cyclohexanol - Cyclohexylamine - Halobenzene - Aryl bromide - Aryl halide - Cyclic alcohol - Secondary alcohol - Secondary amine - Secondary aliphatic amine - Organonitrogen compound - Amine - Organooxygen compound - Primary amine - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Propriedades químicas e físicas

• Peso molecular: 378.100 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 377.977 Da
• Monoisotopic Mass: 375.979 Da
• Topological Polar Surface Area: 58.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 259.000
• 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

Referências

1. Binbin Yao, Yi Fei, Wenlong Wang, Shubing Yang, Kai Wu, Xu Zhang, Zhenwen Wang, Hao Liu, Yuefei Ji, Jing Chen, Junhe Lu.  (2026)  Ferrate-mediated degradation of ambroxol in water: Kinetics, reaction mechanism, and simultaneous phosphorus removal.  Journal of Environmental Chemical Engineering,  14  (3): (122320).  [PMID:] [10.1016/j.jece.2026.122320]

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 18683-91-5, the molecular formula is C13H18Br2N2O, and the molecular weight is 378.1 g/mol. InChIKey JBDGDEWWOUBZPM-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.