4-(2-Amino-2-methylpropyl)phenol - ≥98% , CAS No.51706-55-9

CAS: 51706-55-9 Cat. No.: P491147 Molecular Weight: 165.23 PubChem CID: 84139

GRADE & PURITY ≥98%

Synonyms

EN300-1835785 | 4-Hydroxyphentermine | DQFAEBUKXCRWHR-UHFFFAOYSA-N | DTXSID90965977 | FT-0710247 | Phenol, 4-(2-amino-2-methylpropyl)- | 1,1-dimethyl-2-(4-hydroxyphenyl)ethylamine | F30911 | 4-(2-amino-2-methylpropyl)phenol | AS-48428 | SCHEMBL564410 | AB

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Product Application：

4-(2-Amino-2-methylpropyl)phenol (cas# 51706-55-9) is a useful research chemical. This compound can also be used as derivatives for treatments of diabetes type II and related diseases, as well as respiratory diseases. Experiments have also shown that this can be used for synthesis of cyclic peptides.

Specifications

Synonyms

EN300-1835785 | 4-Hydroxyphentermine | DQFAEBUKXCRWHR-UHFFFAOYSA-N | DTXSID90965977 | FT-0710247 | Phenol, 4-(2-amino-2-methylpropyl)- | 1, 1-dimethyl-2-(4-hydroxyphenyl)ethylamine | F30911 | 4-(2-amino-2-methylpropyl)phenol | AS-48428 | SCHEMBL564410 | AB

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504755742
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755742
• Canonical Smiles: CC(C)(CC1=CC=C(C=C1)O)N
• IUPAC Name: 4-(2-amino-2-methylpropyl)phenol
• InChIKey: DQFAEBUKXCRWHR-UHFFFAOYSA-N
• INCHI: 1S/C10H15NO/c1-10(2,11)7-8-3-5-9(12)6-4-8/h3-6,12H,7,11H2,1-2H3
• Isomeric SMILES: CC(C)(CC1=CC=C(C=C1)O)N
• PubChem CID: 84139
• Molecular Weight: 165.23

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: Phenylpropanes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Organopnictogen compounds Organooxygen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Amphetamine or derivatives - Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Phenol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
• 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

Chemical and Physical Properties

• Solubility: DMSO (Slightly), Methanol (Slightly)
• Melt Point(°C): 134 - 137° C
• Molecular Weight: 165.230 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• 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: 137.000
• 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