ambroxol - 10mM in DMSO , CAS No.18683-91-5

CAS: 18683-91-5 Cat. No.: A422284 Formule: C₁₃H₁₈Br₂N₂O Poids moléculaire: 378.1 Numéro CE: 242-500-3

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonymes

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

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

• Pubchem Sid: 528772579
• Sourires canoniques: 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
• Isomères SMILES: C1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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

Références

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]