(4-Aminomethylphenyl)methanol - ≥96% , CAS No.39895-56-2

CAS: 39895-56-2 Cat. No.: A184295 Formula: C₈H₁₁NO Peso molecolare: 137.2 Numero EC: 810-786-4

GRADE & PURITY ≥96%

Synonyms

A824793 | FT-0649676 | 4-(Aminomethyl)benzyl alcohol | 4-HydroxyMethylbenzyl aMine | HMS1704B11 | 1400W - CAS 214358-33-5 | 3,4-Dimethyl Bromobenzene | MFCD06213766 | (4-Aminomethylphenyl)methanol | (4-Aminomethyl-phenyl)-methanol | 4-Aminomethylbenzyl al

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

A824793 | FT-0649676 | 4-(Aminomethyl)benzyl alcohol | 4-HydroxyMethylbenzyl aMine | HMS1704B11 | 1400W - CAS 214358-33-5 | 3,4-Dimethyl Bromobenzene | MFCD06213766 | (4-Aminomethylphenyl)methanol | (4-Aminomethyl-phenyl)-methanol | 4-Aminomethylbenzyl al

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥96%

Nomi e identificatori

• Pubchem Sid: 488195838
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195838
• Sorrisi canonici: C1=CC(=CC=C1CN)CO
• IUPAC Name: [4-(aminomethyl)phenyl]methanol
• InChIKey: WMOUKOAUAFESMR-UHFFFAOYSA-N
• INCHI: 1S/C8H11NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,10H,5-6,9H2
• Isomeri SMILES: C1=CC(=CC=C1CN)CO
• Peso molecolare: 137.2
• Reaxy-Rn: 2716112
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2716112&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 Benzyl alcohols Aralkylamines Primary alcohols Monoalkylamines Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alcohol - Benzylamine - Phenylmethylamine - Aralkylamine - Aromatic alcohol - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrizione: 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

Obiettivi associati (non umani)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 137.180 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.084 Da
• Monoisotopic Mass: 137.084 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 87.300
• 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