2-Amino-4-tert-butylphenol - ≥98% , CAS No.1199-46-8

CAS: 1199-46-8 Cat. No.: A109787 Molecular Weight: 165.23 EC Number: 214-844-4

GRADE & PURITY ≥98%

Synonyms

Dipivefrine (INN) | diphenyl-iodonium hydrochloride | 2-azanyl-4-tert-butyl-phenol | Coccidot | Oprea1_128902 | 2-amino-4-(tert-butyl)phenol | NCGC00019568-02 | NSC 23803 | EN300-18225 | HMS1474O17 | NCGC00023894-03 | PHENOL, 2-AMINO-4-TERT-BUTYL- | F0266

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Dipivefrine (INN) | diphenyl-iodonium hydrochloride | 2-azanyl-4-tert-butyl-phenol | Coccidot | Oprea1_128902 | 2-amino-4-(tert-butyl)phenol | NCGC00019568-02 | NSC 23803 | EN300-18225 | HMS1474O17 | NCGC00023894-03 | PHENOL, 2-AMINO-4-TERT-BUTYL- | F0266

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488184625
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184625
• Canonical Smiles: CC(C)(C)C1=CC(=C(C=C1)O)N
• IUPAC Name: 2-amino-4-tert-butylphenol
• InChIKey: RPJUVNYXHUCRMG-UHFFFAOYSA-N
• INCHI: 1S/C10H15NO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,11H2,1-3H3
• Isomeric SMILES: CC(C)(C)C1=CC(=C(C=C1)O)N
• WGK Germany: 3
• Molecular Weight: 165.23
• Reaxy-Rn: 606998
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=606998&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: o-Aminophenols Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - O-aminophenol - Aniline or substituted anilines - Aminophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• 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

Associated Targets(Human)

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

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

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

Discover Target: RECQL

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

Discover Target: BAZ2B

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Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Cruzipain (33337 Activities)

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Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)

Discover Target: Pkm

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Plasmodium falciparum (966862 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 164-166°C
• Molecular Weight: 165.230 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 165.115 Da
• Monoisotopic Mass: 165.115 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150.000
• 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

References

1. Zhefei Hu, Yanhao Jiang, Panpan Cao, Yanjuan Liu, Yuefei Zhang, Wei Chen, Sheng Tang.  (2023)  Performance evaluation of 2-undecylimidazole/propyl methacrylate bifunctional silica gel for mixed-mode reversed-phase/anion-exchange chromatography.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.108768]

2. Qifeng Li, Xiaoli Ma, Wenliang Yan, Ziyuan Pang, Congjian Ni, Yiwen Chen, Zhi Yang.  (2025)  Solid–Liquid Phase Equilibrium Characteristics and Thermodynamic Analysis of Asymmetric Schiff Base Ligands and Their Organic Phenol-Aluminum Compounds.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.5c00386]