3-(Dibutilamino)propilamina - ≥97% , CAS No.102-83-0

CAS: 102-83-0 Cat. No.: D100545 Peso molecular: 186.34 Número EC: 203-059-2

GRADE & PURITY ≥97%

Synonyms

DBAPA | LS-14036 | 1, N,N-dibutyl- | NSC 6333 | 4-04-00-01262 (Beilstein Handbook Reference) | N,N-Dibutyl-1,3-propanediamine | SY049949 | 3-(Dibutylamino)-1-propylamine | NSC7777 | NSC-7777 | N1,N1-Dibutylpropane-1,3-diamine | UNII-3SFY0J0731 | 3-dibutyl

Storage

Temperatura ambiente, cargado con argón

Shipped In

Normal

Specifications

Sinónimos

DBAPA | LS-14036 | 1, N, N-dibutyl- | NSC 6333 | 4-04-00-01262 (Beilstein Handbook Reference) | N, N-Dibutyl-1, 3-propanediamine | SY049949 | 3-(Dibutylamino)-1-propylamine | NSC7777 | NSC-7777 | N1, N1-Dibutylpropane-1, 3-diamine | UNII-3SFY0J0731 | 3-dibutyl

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente, cargado con argón

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCCCN(CCCC)CCCN
• IUPAC Name: N',N'-dibutylpropane-1,3-diamine
• InChIKey: KYCGURZGBKFEQB-UHFFFAOYSA-N
• INCHI: 1S/C11H26N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-12H2,1-2H3
• Isómeros SMILES: CCCCN(CCCC)CCCN
• WGK Alemania: 3
• RTECS: TX7175000
• Número ONU: 2922
• Peso molecular: 186.34
• Reaxy-Rn: 635829
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635829&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines
• Direct Parent: Trialkylamines
• Alternative Parents: Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary aliphatic amine - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Primary aliphatic amine - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as trialkylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three alkyl groups bonded to the amino nitrogen.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Air Sensitive
• Índice de refracción: 1.4463
• Punto de inflamación (°F): 219.2 °F
• Punto de inflamación (°C): 103℃
• Punto de ebullición (°C): 205°C
• Peso molecular: 186.340 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 186.21 Da
• Monoisotopic Mass: 186.21 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 86.100
• 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. Jin He, Hong Xiao, Bo Li, Yuan Peng, Xiaoxia Li, Yong Wang, Grazyna Adamus, Marek Kowalczuk, Xintao Shuai.  (2019)  The programmed site-specific delivery of the angiostatin sunitinib and chemotherapeutic paclitaxel for highly efficient tumor treatment.  Journal of Materials Chemistry B,  7  (32): (4953-4962).  [PMID:31411627] [10.1039/C9TB01159E]