GRADE & PURITY ≥98%

Synonyms

N-BENZYL-B-NAPHTHylamine | N-BENZYL-B-NAPHTHYL-AMINE | N-Benzylnaphthalen-2-amine | FT-0724997 | N-Benzyl-beta-naphthyl-amine | AKOS009062231 | 2-Naphthalenamine,N-(phenylmethyl)- | MFCD00144848 | FD10523 | A886646 | AS-62931 | SCHEMBL1542592 | 2-Naphthal

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

N-BENZYL-B-NAPHTHylamine | N-BENZYL-B-NAPHTHYL-AMINE | N-Benzylnaphthalen-2-amine | FT-0724997 | N-Benzyl-beta-naphthyl-amine | AKOS009062231 | 2-Naphthalenamine, N-(phenylmethyl)- | MFCD00144848 | FD10523 | A886646 | AS-62931 | SCHEMBL1542592 | 2-Naphthal

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767130
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767130
• Canonical Smiles: C1=CC=C(C=C1)CNC2=CC3=CC=CC=C3C=C2
• IUPAC Name: N-benzylnaphthalen-2-amine
• InChIKey: KBOITYDYBXNTMF-UHFFFAOYSA-N
• INCHI: 1S/C17H15N/c1-2-6-14(7-3-1)13-18-17-11-10-15-8-4-5-9-16(15)12-17/h1-12,18H,13H2
• Isomeric SMILES: C1=CC=C(C=C1)CNC2=CC3=CC=CC=C3C=C2
• Molecular Weight: 233.31
• Beilstein: 12(4)3130
• Reaxy-Rn: 2211813
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211813&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: Phenylmethylamines Benzylamines Secondary alkylarylamines Aralkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Phenylmethylamine - Benzylamine - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - 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

Chemical and Physical Properties

• Sensitivity: light & air sensitive
• Boil Point(°C): 190°C/1.5mmHg
• Melt Point(°C): 66.0 -70.0 °C
• Molecular Weight: 233.310 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 233.12 Da
• Monoisotopic Mass: 233.12 Da
• Topological Polar Surface Area: 12.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 244.000
• 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