Hexamethylene bisacetamide

Base Information

• Chemical Name: Hexamethylene bisacetamide
• CAS No.: 3073-59-4
• Molecular Formula: C10H20N2O2
• Molecular Weight: 200.281
• Hs Code.: 29241990
• NSC Number: 95580
• UNII: LA133J59VU
• DSSTox Substance ID: DTXSID2041044
• Nikkaji Number: J227.810C
• Wikidata: Q3732771
• NCI Thesaurus Code: C1125
• Metabolomics Workbench ID: 49612
• ChEMBL ID: CHEMBL291481
• Mol file: 3073-59-4.mol

Synonyms:diacetyldiaminohexane;hexamethylen bisacetamide;hexamethylene bisacetamide;HMBA;N,N'-diacetyl-1,6-hexanediamine;NSC 95580;NSC-95580

Chemical Property of Hexamethylene bisacetamide

Chemical Property:

• Appearance/Colour: white flakes.
• Melting Point: 128-129 °C(lit.)
• Refractive Index: 1.4710 (estimate)
• Boiling Point: 456.7 °C at 760 mmHg
• PKA: 16.20±0.46(Predicted)
• Flash Point: 193.2 °C
• PSA: 58.20000
• Density: 0.974 g/cm³
• LogP: 1.60080
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: water: soluble5%, clear, colorless
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 200.152477885
• Heavy Atom Count: 14
• Complexity: 161

Purity/Quality:

99% ^*data from raw suppliers

HexamethyleneBiscetamide ^*data from reagent suppliers

Safty Information:

• Statements: 33
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCCCCCCNC(=O)C
• Uses: N,N′-Hexamethylene bis(acetamide) was used as an inducing agent in obtaining mononuclear cells from the peripheral blood (PB) sample by Ficoll-Hypaque gradient separation.

Technology Process of Hexamethylene bisacetamide

There total 15 articles about Hexamethylene bisacetamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.2%

→ isophoronenitrile (7027-11-4)

Guidance literature:

Reference yield: 96.0%

1,6-Hexanediamine (124-09-4) + acetonitrile (75-05-8,26809-02-9) → hexamethylene bisacetamide (3073-59-4)

Guidance literature:

With water; copper(II) oxide; at 180 ℃; for 2h;

DOI:10.1039/c6ra05563j

Reference yield: 57.0%

acetamide (60-35-5) + 1,6-Hexanediamine (124-09-4) → mono-N-acetylhexamethylenediamine (49631-88-1) + hexamethylene bisacetamide (3073-59-4)

Guidance literature:

for 10h; Heating;

upstream raw materials:

1,6-Hexanediamine

acetic anhydride

acetic acid

Hexamethylene diisocyanate

Downstream raw materials:

N,N,N',N'-tetraacetylhexamethylenediamine

N,N'-diethylhexamethylenediamine

acetamide

N-methyl-acetamide

Refernces

• 1、 Li, Qinghe,Wang, Peixue,Deng, Youquan. "Amide exchange reaction: A simple and efficient CuO catalyst for diacetamide synthesis". . p. 40890 - 40894. Retrieved 2016/05/19.
• 2、 -. "COMPOSITIONS AND METHODS FOR MODULATING HEXIM1 EXPRESSION". Paragraph 00187. . Retrieved 2015/09/23.