N,N-Dibutylethylenediamine - ≥98%(GC) , CAS No.3529-09-7

CAS: 3529-09-7 Cat. No.: N159354 Molecular Weight: 172.32 EC Number: 222-558-6

GRADE & PURITY ≥98%(GC)

Synonyms

SCHEMBL418559 | n,n-dibutyl-1,2-diaminoethane | 2-(dibutylamino)-ethylamine | 2-aminoethyl-dibutyl-amine | InChI=1/C10H24N2/c1-3-5-8-12(10-7-11)9-6-4-2/h3-11H2,1-2H3 | 97YHT8HA3Q | Malonic acid, dibutyl-, diethyl ester | N',N'-dibutylethane-1,2-diamine |

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

SCHEMBL418559 | n, n-dibutyl-1, 2-diaminoethane | 2-(dibutylamino)-ethylamine | 2-aminoethyl-dibutyl-amine | InChI=1/C10H24N2/c1-3-5-8-12(10-7-11)9-6-4-2/h3-11H2, 1-2H3 | 97YHT8HA3Q | Malonic acid, dibutyl-, diethyl ester | N', N'-dibutylethane-1, 2-diamine |

Specifications & Purity

≥98%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488185370
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185370
• Canonical Smiles: CCCCN(CCCC)CCN
• IUPAC Name: N',N'-dibutylethane-1,2-diamine
• InChIKey: PWNDYKKNXVKQJO-UHFFFAOYSA-N
• INCHI: 1S/C10H24N2/c1-3-5-8-12(10-7-11)9-6-4-2/h3-11H2,1-2H3
• Isomeric SMILES: CCCCN(CCCC)CCN
• Molecular Weight: 172.32
• Reaxy-Rn: 1738440
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1738440&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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Refractive Index: 1.44
• Flash Point(°F): 88°C(lit.)
• Flash Point(°C): 88°C(lit.)
• Boil Point(°C): 214°C(lit.)
• Molecular Weight: 172.310 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 172.194 Da
• Monoisotopic Mass: 172.194 Da
• Topological Polar Surface Area: 29.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 75.900
• 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. Guangman Cui, Shaohui Deng, Biao Zhang, Manchun Wang, Zhousheng Lin, Xinyue Lan, Zelong Li, Guangyu Yao, Meng Yu, Jun Yan.  (2024)  Overcoming the Tumor Collagen Barriers: A Multistage Drug Delivery Strategy for DDR1-Mediated Resistant Colorectal Cancer Therapy.  Advanced Science,      [PMID:38953306] [10.1002/advs.202402107]