1-[3-(Dimethylamino)propyl]piperazine - ≥97% , CAS No.877-96-3

CAS: 877-96-3 Cat. No.: D344388 Peso molecular: 171.288 Número EC: 627-165-7

GRADE & PURITY ≥97%

Synonyms

dimethyl[3-(piperazin-1-yl)propyl]amine | N,N-dimethyl-3-piperazin-1-ylpropan-1-amine | 1-[3-(Dimethylamino)propyl]piperazine | 1-[3-(dimethylamino)-propyl]-piperazine | 1-[3-(Dimethylamino)propyl]piperazine, >=98.0% (GC) | 3-Dimethylaminopropylpiperazine

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

dimethyl[3-(piperazin-1-yl)propyl]amine | N, N-dimethyl-3-piperazin-1-ylpropan-1-amine | 1-[3-(Dimethylamino)propyl]piperazine | 1-[3-(dimethylamino)-propyl]-piperazine | 1-[3-(Dimethylamino)propyl]piperazine, >=98.0% (GC) | 3-Dimethylaminopropylpiperazine

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488192784
• Sonrisas canónicas: CN(C)CCCN1CCNCC1
• IUPAC Name: N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
• InChIKey: YJRGRZJKGMBHIB-UHFFFAOYSA-N
• INCHI: 1S/C9H21N3/c1-11(2)6-3-7-12-8-4-10-5-9-12/h10H,3-9H2,1-2H3
• Isómeros SMILES: CN(C)CCCN1CCNCC1
• Peso molecular: 171.288
• Reaxy-Rn: 506940
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506940&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpiperazines
• Alternative Parents: Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpiperazine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl 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

• Punto de ebullición (°C): 77-79° C at 0.37 mmHg
• Peso molecular: 171.280 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 171.174 Da
• Monoisotopic Mass: 171.174 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 108.000
• 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

Referencias

1. Yuhao Han, Xinyan Qu, Haoyuan Geng, Lei Wang, Zihan Zhu, Yaqi Zhang, Xiaoqing Cui, Heng Lu, Xiao Wang, Panpan Chen, Quanbo Wang, Chenglong Sun.  (2023)  Isotope-Coded On-Tissue Derivatization for Quantitative Mass Spectrometry Imaging of Short-Chain Fatty Acids in Biological Tissues.  ANALYTICAL CHEMISTRY,      [PMID:37997359] [10.1021/acs.analchem.3c03308]