3-(Dibutylamino)propylamine - ≥97% , CAS No.102-83-0

CAS: 102-83-0 Cat. No.: D100545 Molecular Weight: 186.34 EC Number: 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

Room temperature,Argon charged

Shipped In

Normal

Specifications

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

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CCCCN(CCCC)CCCN
• WGK Germany: 3
• RTECS: TX7175000
• UN Number: 2922
• Molecular Weight: 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
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Trialkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive
• Refractive Index: 1.4463
• Flash Point(°F): 219.2 °F
• Flash Point(°C): 103℃
• Boil Point(°C): 205°C
• Molecular Weight: 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

References

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]