Bis-(5-amino-2-hydroxyphenyl)methane dihydrochloride - ≥97% , CAS No.27311-52-0

CAS: 27311-52-0 Cat. No.: B340458 Molecular Weight: 303.18 EC Number: 440-850-3 PubChem CID: 21889084

GRADE & PURITY ≥97%

Synonyms

2,2'-Methylenebis-4-aminophenol HCl | UNII-NOJ4K5V5UH | 2,2'-Methylenebis-4-aminophenol HCl [INCI] | Bis-(5-Amino-2-Hydroxyphenyl)Methane Dihydrochloride | bis(5-amino-2-hydroxyphenyl)methane dihydrochloride | 4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]ph

Storage

Room temperature

Shipped In

Normal

Overview

Bis-(5-amino-2-hydroxyphenyl)methane dihydrochloride is an aliphatic building block that contains alcohols and amines and used in the preparation of dyes and pigments.

Specifications

Synonyms

2, 2'-Methylenebis-4-aminophenol HCl | UNII-NOJ4K5V5UH | 2, 2'-Methylenebis-4-aminophenol HCl [INCI] | Bis-(5-Amino-2-Hydroxyphenyl)Methane Dihydrochloride | bis(5-amino-2-hydroxyphenyl)methane dihydrochloride | 4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]ph

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488199949
• Canonical Smiles: C1=CC(=C(C=C1N)CC2=C(C=CC(=C2)N)O)O.Cl.Cl
• IUPAC Name: 4-amino-2-[(5-amino-2-hydroxyphenyl)methyl]phenol;dihydrochloride
• InChIKey: WKERZZAEPVPFPO-UHFFFAOYSA-N
• INCHI: 1S/C13H14N2O2.2ClH/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17;;/h1-4,6-7,16-17H,5,14-15H2;2*1H
• Isomeric SMILES: C1=CC(=C(C=C1N)CC2=C(C=CC(=C2)N)O)O.Cl.Cl
• PubChem CID: 21889084
• Molecular Weight: 303.18

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: p-Aminophenols Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Primary amines Organooxygen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - P-aminophenol - Aniline or substituted anilines - Aminophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

• Molecular Weight: 303.180 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 302.059 Da
• Monoisotopic Mass: 302.059 Da
• Topological Polar Surface Area: 92.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 226.000
• 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: 3

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