Neopentylamine - ≥98%(GC) , CAS No.5813-64-9

CAS: 5813-64-9 Cat. No.: N159082 Peso molecular: 87.17 Beilstein Registry Number: 4188 Número EC: 227-378-1

GRADE & PURITY ≥98%(GC)

Synonyms

InChI=1/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H | 2,2-Dimethyl-1-propylamine | N0505 | EN300-52478 | 1-Propanamine,2-dimethyl- | A15668 | GS-5465 | NSC 165660 | 2,2-dimethyl-propylamin | 2,2-dimethylpropyl amine | 2,2-dimethyl-propyl amine | 4-Biphenylyl ethylket

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

InChI=1/C5H13N/c1-5(2, 3)4-6/h4, 6H2, 1-3H | 2, 2-Dimethyl-1-propylamine | N0505 | EN300-52478 | 1-Propanamine, 2-dimethyl- | A15668 | GS-5465 | NSC 165660 | 2, 2-dimethyl-propylamin | 2, 2-dimethylpropyl amine | 2, 2-dimethyl-propyl amine | 4-Biphenylyl ethylket

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488185795
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185795
• Sonrisas canónicas: CC(C)(C)CN
• IUPAC Name: 2,2-dimethylpropan-1-amine
• InChIKey: XDIAMRVROCPPBK-UHFFFAOYSA-N
• INCHI: 1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3
• Isómeros SMILES: CC(C)(C)CN
• Peso molecular: 87.17
• Beilstein: 4188
• Reaxy-Rn: 1730983
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730983&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Primary aliphatic amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
• 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
• Índice de refracción: 1.40
• Punto de inflamación (°C): -13℃
• Punto de ebullición (°C): 82 °C
• Peso molecular: 87.160 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 87.1048 Da
• Monoisotopic Mass: 87.1048 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 33.700
• 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

Referencias

1. Tianyi Zhang, Yuhui Wu, Ye Tian, Youxiang Wang, Peng Zhang, Qiannuan Shi, Qun Fang, Jianzhang Pan, Qiao Jin, Jian Ji.  (2025)  AI-guided precise design of antimicrobial polymers through high-throughput screening technology on an automated platform.  Bioactive Materials,      [PMID:41502979] [10.1016/j.bioactmat.2025.12.020]