N,N-Dibutylformamide - ≥98%(GC) , CAS No.761-65-9

CAS: 761-65-9 Cat. No.: N159301 Molecular Weight: 157.26 Beilstein Registry Number: 636100 EC Number: 212-090-0

GRADE & PURITY ≥98%(GC)

Synonyms

SY013148 | WLN: VHN4&4 | EINECS 212-090-0 | NSC404525 | NSC-404525 | AI3-18810 | A849002 | NSC 404525 | 4-04-00-00565 (Beilstein Handbook Reference) | Q27258593 | AMY3064 | DTXSID3022114 | AKOS009157162 | Formamide, N,N-dibutyl- | DI(N-BUTYL)FORAMIDE, N,N

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product Application
N,N-Di-n-butylformamide is used as an organic chemical synthesis intermediate.

Specifications

Synonyms

SY013148 | WLN: VHN4&4 | EINECS 212-090-0 | NSC404525 | NSC-404525 | AI3-18810 | A849002 | NSC 404525 | 4-04-00-00565 (Beilstein Handbook Reference) | Q27258593 | AMY3064 | DTXSID3022114 | AKOS009157162 | Formamide, N, N-dibutyl- | DI(N-BUTYL)FORAMIDE, N, N

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504752407
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752407
• Canonical Smiles: CCCCN(CCCC)C=O
• IUPAC Name: N,N-dibutylformamide
• InChIKey: NZMAJUHVSZBJHL-UHFFFAOYSA-N
• INCHI: 1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3
• Isomeric SMILES: CCCCN(CCCC)C=O
• WGK Germany: 1
• RTECS: LQ1833000
• Molecular Weight: 157.26
• Beilstein: 636100
• Reaxy-Rn: 636100
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636100&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Tertiary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Tertiary carboxylic acid amides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tertiary carboxylic acid amides. These are compounds containing an amide derivative of carboxylic acid, with the general structure RN(R1)C(R2)=O (R1-R2 any atom but H).
• 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

• Solubility: Insoluble in water.
• Refractive Index: 1.44
• Flash Point(°F): 212 °F
• Flash Point(°C): 100°C(lit.)
• Boil Point(°C): 243°C
• Melt Point(°C): <-30°
• Molecular Weight: 157.250 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 157.147 Da
• Monoisotopic Mass: 157.147 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 85.600
• 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. Zhigang Li, Junjie Wang, Xiao Chen, Shaoyang Hu, Tingting Gong, Qiming Xian.  (2019)  A novel molecularly imprinted polymer-solid phase extraction method coupled with high performance liquid chromatography tandem mass spectrometry for the determination of nitrosamines in water and beverage samples.  FOOD CHEMISTRY,      [PMID:31054675] [10.1016/j.foodchem.2019.04.036]

2. Sen Xue, Qian Wei, Rui Zhang, Tianyu Zhang, Gaigai Duan, Xiaoshuai Han, Kunming Liu, Jingquan Han, Shuijian He, Shaohua Jiang.  (2024)  Spiroborate-based three dimensional covalent organic framework for effective adsorption and separation of organic dyes.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.126941]