Bamethan , CAS No.3703-79-5

CAS: 3703-79-5 Cat. No.: B670912 Peso molecular: 209.28 PubChem CID: 2292

Synonyms

Bamethan | AKOS005535687 | Bametano | 1-(p-Hydroxyphenyl)-2-butylaminoethanol | BAMETHAN [MI] | Butyl-nor-sympatol | SR-01000884002 | UNII-Y08ZFJ9TFK | Bamethan (INN) | DTXCID3026144 | Bamethane | CAS-3703-79-5 | Bametano [INN-Spanish] | Benzenemethanol,

Storage

Room temperature

Specifications

Sinónimos

Bamethan | AKOS005535687 | Bametano | 1-(p-Hydroxyphenyl)-2-butylaminoethanol | BAMETHAN [MI] | Butyl-nor-sympatol | SR-01000884002 | UNII-Y08ZFJ9TFK | Bamethan (INN) | DTXCID3026144 | Bamethane | CAS-3703-79-5 | Bametano [INN-Spanish] | Benzenemethanol,

Condiciones de almacenamiento de almacenamiento

Room temperature

Propiedades del producto

• ALogP: 0.6

Nombres e identificadores

• Sonrisas canónicas: CCCCNCC(C1=CC=C(C=C1)O)O
• IUPAC Name: 4-[2-(butylamino)-1-hydroxyethyl]phenol
• InChIKey: RDUHXGIIUDVSHR-UHFFFAOYSA-N
• INCHI: 1S/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3
• Isómeros SMILES: CCCCNCC(C1=CC=C(C=C1)O)O
• PubChem CID: 2292
• Peso molecular: 209.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass 1-hydroxy-2-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: 1-hydroxy-2-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-2-unsubstituted benzenoids
• Alternative Parents: Aralkylamines Benzene and substituted derivatives Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Aromatic alcohol - Alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-hydroxy-2-unsubstituted benzenoids. These are phenols that a unsubstituted at the 2-position.
• 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

Objetivos asociados (humanos)

PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

Discover Target: PMP22

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 209.280 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 209.142 Da
• Monoisotopic Mass: 209.142 Da
• Topological Polar Surface Area: 52.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 156.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Runxian Li, Decheng Suo, Zhengjie Yu, Zhiming Xiao, Peiling Wei, Shi Wang, Yuchao Feng, Xia Fan.  (2025)  A traffic light-fluorescent lateral flow immunoassay with dual-color quantum dot nanobeads for the simultaneous detection of ractopamine and clenbuterol.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.114042]