o-Xylylenediamine - ≥94%(GC) , CAS No.17300-02-6

CAS: 17300-02-6 Cat. No.: I167888 Peso molecular: 136.19 Número EC: 605-656-7

GRADE & PURITY ≥94%(GC)

Synonyms

xylylenediamine | GKXVJHDEWHKBFH-UHFFFAOYSA-N | o-Xylylenediamine | AKOS004114629 | [2-(aminomethyl)-phenyl]-methyl-amine | [2-(aminomethyl)phenyl]methanamine | A881817 | SCHEMBL15247 | EN300-316554 | alpha,alpha'-Diamino-o-xylene, 1,2-Bis(aminomethyl)ben

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

xylylenediamine | GKXVJHDEWHKBFH-UHFFFAOYSA-N | o-Xylylenediamine | AKOS004114629 | [2-(aminomethyl)-phenyl]-methyl-amine | [2-(aminomethyl)phenyl]methanamine | A881817 | SCHEMBL15247 | EN300-316554 | alpha, alpha'-Diamino-o-xylene, 1, 2-Bis(aminomethyl)ben

Especificaciones y pureza

≥94%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥94%(GC)

Nombres e identificadores

• Pubchem Sid: 504758679
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758679
• Sonrisas canónicas: C1=CC=C(C(=C1)CN)CN
• IUPAC Name: [2-(aminomethyl)phenyl]methanamine
• InChIKey: GKXVJHDEWHKBFH-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2/c9-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6,9-10H2
• Isómeros SMILES: C1=CC=C(C(=C1)CN)CN
• WGK Alemania: 3
• Peso molecular: 136.19
• Reaxy-Rn: 1862330
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1862330&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylmethylamine - Benzylamine - Aralkylamine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Propiedades químicas y físicas

• Sensibilidad: air sensitive；light sensitive
• Peso molecular: 136.190 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 136.1 Da
• Monoisotopic Mass: 136.1 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 81.300
• 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

Referencias

1. Xiang Hui, Liguo Wang, Yan Cao, Shuang Xu, Peng He, Huiquan Li.  (2022)  Highly efficient synthesis of novel bio-based pentamethylene dicarbamate via carbonylation of pentanediamine with ethyl carbamate over well-defined titanium oxide catalysts.  Catalysis Science & Technology,  12  (7): (2315-2327).  [PMID:] [10.1039/D2CY00073C]