1,4-Diaminobutane dihydrochloride

Base Information

• Chemical Name: 1,4-Diaminobutane dihydrochloride
• CAS No.: 333-93-7
• Deprecated CAS: 29142-66-3
• Molecular Formula: C4H14Cl2N2
• Molecular Weight: 161.075
• Hs Code.: 29212900
• European Community (EC) Number: 206-375-9
• UNII: X45SUR7RHY
• DSSTox Substance ID: DTXSID5059824
• Wikidata: Q27293545
• ChEMBL ID: CHEMBL1528028
• Mol file: 333-93-7.mol

Synonyms:1,4-Diaminobutane dihydrochloride;333-93-7;Putrescine dihydrochloride;Putrescine hydrochloride;Tetramethylenediamine dihydrochloride;1,4-Diaminobutane 2HCl;1,4-Butanediamine dihydrochloride;1,4-BUTANEDIAMINE, DIHYDROCHLORIDE;butane-1,4-diamine dihydrochloride;1,4-Butanediamine, hydrochloride;1,4-Diaminobutane, dihydrochloride;NSC 5861;EINECS 206-375-9;UNII-X45SUR7RHY;X45SUR7RHY;AI3-18304;MFCD00012526;Tetramethylenediammonium dichloride;butane-1,4-diamine;dihydrochloride;1,4-Diaminobutane (dihydrochloride);1,4-Butanediamine, hydrochloride (1:2);NSC-5861;SR-01000076079;1,4-Butanediamine, dihydrochloride (8CI,9CI);Putrescindihydrochlorid;1,4-Diaminobutane*2HCl;Tetramethylenediamine*2HCl;SCHEMBL29458;C4H12N2.2ClH;SPECTRUM1503952;CHEMBL1528028;DTXSID5059824;XXWCODXIQWIHQN-UHFFFAOYSA-N;HY-Y1781;Tox21_500972;CCG-39461;AKOS015845890;AC-4426;LP00972;PUTRESCINE DIHYDROCHLORIDE [MI];SB75758;NCGC00094272-01;NCGC00094272-02;NCGC00261657-01;AS-14367;LS-45660;Putrescine dihydrochloride, >=98% (TLC);AM20090504;CS-0019391;D0081;EU-0100972;FT-0606835;FT-0772419;S5344;N11902;P 7505;P-8000;A821757;SR-01000076079-1;SR-01000076079-4;Q27293545;1,4-Diaminobutane dihydrochloride, purum, >=99.0% (AT);Putrescine dihydrochloride 100 microg/mL in Acetonitrile/Water;Putrescine dihydrochloride, Vetec(TM) reagent grade, >=98%;Putrescine dihydrochloride, powder, BioReagent, suitable for cell culture;Putrescine dihydrochloride, gamma-irradiated, lyophilized powder, BioXtra, suitable for cell culture

Chemical Property of 1,4-Diaminobutane dihydrochloride

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 2.55mmHg at 25°C
• Melting Point: 280 °C (dec.)(lit.)
• Refractive Index: 1.6300 (estimate)
• Boiling Point: 159 °C at 760 mmHg
• Flash Point: 51.7 °C
• PSA: 52.04000
• Density: 1.472g/cm3
• LogP: 2.68860
• Storage Temp.: 2-8°C
• Sensitive.: Hygroscopic
• Solubility.: H2O: 100 mg/mL
• Water Solubility.: almost transparency
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 160.0534038
• Heavy Atom Count: 8
• Complexity: 17.5

Purity/Quality:

98%min, ^*data from raw suppliers

1,4-Diaminobutane Dihydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, Xn
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aliphatic
• Canonical SMILES: C(CCN)CN.Cl.Cl
• Uses: Putrescine dihydrochloride has been used as medium component in F-12 + GlutaMax medium for mice ganglia culture, retinal ganglion cell culture and in HCT116 colon carcinoma cells for ornithine decarboxylase (ODC) assay.

Technology Process of 1,4-Diaminobutane dihydrochloride

There total 10 articles about 1,4-Diaminobutane dihydrochloride 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: 95.0%

butanedinitrile (110-61-2) → putrescine dihydrochloride (333-93-7)

Guidance literature:

butanedinitrile; With cobalt pivalate; 1,1,3,3-Tetramethyldisiloxane; tert-butylisonitrile; at 80 ℃; for 24h;

With hydrogenchloride; In diethyl ether; at 20 ℃; for 0.5h;

DOI:10.1021/acs.orglett.8b03736

Reference yield: 90.0%

4-azidobutan-1-amine (88192-20-5) → putrescine dihydrochloride (333-93-7)

Guidance literature:

With hydrogenchloride; hydrogen; palladium on activated charcoal; In methanol; for 18h; under 3102.9 Torr; Ambient temperature;

DOI:10.1055/s-1996-4438

Reference yield:

1,6-Diazacyclononadecan-7,19-dion (139662-50-3) → brassylic acid (505-52-2) + putrescine dihydrochloride (333-93-7)

Guidance literature:

With hydrogenchloride; In water; at 150 ℃;

DOI:10.1002/hlca.19920750104

upstream raw materials:

1-bromo-3-phthalimidopropane-⁽¹⁵⁾N

(4-aminobutyl)carbamic acid benzyl ester

agmatine sulphate

1,6-Diazacyclononadecan-7,19-dion

Downstream raw materials:

1-pyrroline

1-amino-4-[(tert-butyloxycarbonyl)amino]butane

1-phenyl-2-(pyrrolidin-2-yl)ethan-1-one

(4-aminobutyl)carbamic acid benzyl ester

Refernces

• 1、 -. "Preparation method and application of functionalized column [5] arene trimer". Paragraph 0015; 0016. . Retrieved 2017/03/14.
• 2、 -. "Tricyclic nitrogen ring compounds, their production and use". . . Retrieved 2008/06/13.