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

CAS: 5813-64-9 Cat. No.: N159082 Formula: C₅H₁₃N Peso molecolare: 87.17 Beilstein Registry Number: 4188 Numero 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

Sinonimi

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

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 488185795
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185795
• Sorrisi canonici: 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
• Isomeri SMILES: CC(C)(C)CN
• Peso molecolare: 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
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive
• Indice di rifrazione: 1.40
• Punto di infiammabilità (°C): -13℃
• Punto di ebollizione (°C): 82 °C
• Peso molecolare: 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

Riferimenti

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]

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5813-64-9, the molecular formula is C5H13N, and the molecular weight is 87.17 g/mol. InChIKey XDIAMRVROCPPBK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.