4-Butoxyaniline - ≥98% , CAS No.4344-55-2

CAS: 4344-55-2 Cat. No.: B151816 Molecular Weight: 165.24 Beilstein Registry Number: 13(2)226 EC Number: 224-402-2

GRADE & PURITY ≥98%

Synonyms

4-AMINO-1-BUTOXYBENZENE | FT-0619160 | MFCD00007866 | 4-Butyloxybenzenamine | EINECS 224-402-2 | 4-BUTOXYBENZENAMINE | EN300-109419 | NSC5443 | NSC-5443 | Tox21_303357 | BBL027664 | CAS-4344-55-2 | p-Butoxyaniline | 4-13-00-01018 (Beilstein Handbook Refer

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

4-Butoxyaniline undergoes low-pressure hydrogenation in the presence of rhodium on alumina to yield 4-butoxycyclohexylamine.
4-Butoxyaniline was used in the preparation of: ? bis-4-butoxyphenyl-4,4′-(2,2′-bipyridyl)carbamide ? 1-(4-butoxyphenyl)-3-(6-methyl-3-oxo-2-phenyl-2,3-dihydropyridazin-4-yl)urea

Specifications

Synonyms

4-AMINO-1-BUTOXYBENZENE | FT-0619160 | MFCD00007866 | 4-Butyloxybenzenamine | EINECS 224-402-2 | 4-BUTOXYBENZENAMINE | EN300-109419 | NSC5443 | NSC-5443 | Tox21_303357 | BBL027664 | CAS-4344-55-2 | p-Butoxyaniline | 4-13-00-01018 (Beilstein Handbook Refer

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488182616
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182616
• Canonical Smiles: CCCCOC1=CC=C(C=C1)N
• IUPAC Name: 4-butoxyaniline
• InChIKey: UBRIHZOFEJHMIT-UHFFFAOYSA-N
• INCHI: 1S/C10H15NO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7H,2-3,8,11H2,1H3
• Isomeric SMILES: CCCCOC1=CC=C(C=C1)N
• WGK Germany: 3
• RTECS: BW9420000
• Molecular Weight: 165.24
• Beilstein: 13(2)226
• Reaxy-Rn: 2084421
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2084421&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Aminophenyl ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Aminophenyl ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminophenyl ethers
• Alternative Parents: Phenoxy compounds Aniline and substituted anilines Alkyl aryl ethers Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenyl ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Monocyclic benzene moiety - Ether - 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 aminophenyl ethers. These are aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring.
• 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

• Sensitivity: Light Sensitive,Air Sensitive
• Refractive Index: 1.54
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 157 °C/23 mmHg
• Molecular Weight: 165.230 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 165.115 Da
• Monoisotopic Mass: 165.115 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 108.000
• 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