3-Amino-2-hydroxymethylnaphthalene - ≥95% , CAS No.141281-58-5

CAS: 141281-58-5 Cat. No.: A181434 Molecular Weight: 173.2

GRADE & PURITY ≥95%

Synonyms

(3-aminonaphthalen-2-yl)methanol|141281-58-5|3-AMINO-2-HYDROXYMETHYLNAPHTHALENE|3-AMINO-4-HYDROXYMETHYLNAPHTHALENE|CHEMBL1935085|2-Naphthalenemethanol,3-amino-(9CI)|2-Aminonaphthalene-3-methanol|SCHEMBL647376|(3-amino-2-naphthyl)methanol|DTXSID00438844|JI

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(3-aminonaphthalen-2-yl)methanol | 141281-58-5 | 3-AMINO-2-HYDROXYMETHYLNAPHTHALENE | 3-AMINO-4-HYDROXYMETHYLNAPHTHALENE | CHEMBL1935085 | 2-Naphthalenemethanol, 3-amino-(9CI) | 2-Aminonaphthalene-3-methanol | SCHEMBL647376 | (3-amino-2-naphthyl)methanol | DTXSID00438844 | JI

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C=C(C(=CC2=C1)CO)N
• IUPAC Name: (3-aminonaphthalen-2-yl)methanol
• InChIKey: JISDTJXWUKAFFL-UHFFFAOYSA-N
• INCHI: 1S/C11H11NO/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-13/h1-6,13H,7,12H2
• Isomeric SMILES: C1=CC=C2C=C(C(=CC2=C1)CO)N
• Molecular Weight: 173.2
• Reaxy-Rn: 2829590
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2829590&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Primary amines Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 173.210 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 173.084 Da
• Monoisotopic Mass: 173.084 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 171.000
• 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