2-Propylaniline - ≥97% , CAS No.1821-39-2

CAS: 1821-39-2 Cat. No.: P160189 Molecular Weight: 135.21 Beilstein Registry Number: 12(3)2657 EC Number: 217-346-5 PubChem CID: 15759

GRADE & PURITY ≥97%

Synonyms

2-n-Propylaniline | o-Propylaniline | J-011658 | 1-phenylpropan-1-amine;2-PROPYLANILINE | 2-Propylbenzenamine | ANILINE, 2-PROPYL- | EINECS 217-346-5 | Benzenamine, 2-propyl- | AKOS005257545 | UNII-KDP5MSE5C0 | Q27093941 | FT-0613236 | 2-Propylaniline, 97

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Overview

Electropolymerization of 2-propylaniline in highly acidic medium yields poly(2-propylaniline) film. Polymerization and intercalation of 2-propylaniline into iron (III) oxychloride via in situ polymerization/intercalation process has been reported.

Specifications

Synonyms

2-n-Propylaniline | o-Propylaniline | J-011658 | 1-phenylpropan-1-amine;2-PROPYLANILINE | 2-Propylbenzenamine | ANILINE, 2-PROPYL- | EINECS 217-346-5 | Benzenamine, 2-propyl- | AKOS005257545 | UNII-KDP5MSE5C0 | Q27093941 | FT-0613236 | 2-Propylaniline, 97

Specifications & Purity

≥97%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488182174
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182174
• Canonical Smiles: CCCC1=CC=CC=C1N
• IUPAC Name: 2-propylaniline
• InChIKey: WKURVXXDGMYSDP-UHFFFAOYSA-N
• INCHI: 1S/C9H13N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5,10H2,1H3
• Isomeric SMILES: CCCC1=CC=CC=C1N
• WGK Germany: 3
• RTECS: BY8300000
• PubChem CID: 15759
• Molecular Weight: 135.21
• Beilstein: 12(3)2657
• Reaxy-Rn: 636589

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: Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - 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

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive
• Refractive Index: 1.55
• Flash Point(°F): 208.4 °F
• Flash Point(°C): 98°C(lit.)
• Boil Point(°C): 223°C(lit.)
• Molecular Weight: 135.210 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 135.105 Da
• Monoisotopic Mass: 135.105 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 90.700
• 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