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

CAS: 18683-91-5 Cat. No.: A422284 Fórmula: C₁₃H₁₈Br₂N₂O Peso molecular: 378.1 Número CE: 242-500-3

GRAU & PUREZA 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

Especificações

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

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Nomes e identificadores

Pubchem Sid

528772579

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