Hexamethylenediamine dihydrochloride

Product Information

Molecular Formula:
C6H18Cl2N2
Molecular Weight:
189.13
Description
An intermediate in the manufacturing of Nylon.
Synonyms
hexane-1,6-diamine;dihydrochloride
IUPAC Name
hexane-1,6-diamine;dihydrochloride
Canonical SMILES
C(CCCN)CCN.Cl.Cl
InChI
InChI=1S/C6H16N2.2ClH/c7-5-3-1-2-4-6-8;;/h1-8H2;2*1H
InChI Key
XMVQMBLTFKAIOX-UHFFFAOYSA-N
Boiling Point
205 °C at 760 mmHg
Melting Point
256-257 °C (lit.)
Solubility
H2O
Appearance
White to almost white powder to crystal
LogP
3.46880

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Exact Mass
188.0847040 g/mol
Monoisotopic Mass
188.0847040 g/mol
Topological Polar Surface Area
52Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
31.5
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
3
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
US-2020131431-A1 Chemical additives and surfactant combinations for favorable wettability alteration and improved hydrocarbon recovery factors 2018-10-26
EP-3682864-A1 Use of a diamine to improve the mechanical strength of hair, and hair care agent containing same 2017-09-15
US-2020140626-A1 Method of preparing a hydrogel product 2017-06-28
WO-2019002368-A1 GLYCOSAMINOGLYCANES RETICULATED AND FUNCTIONALIZED 2017-06-28
WO-2019002372-A1 PROCESS FOR PREPARING A HYDROGEN PRODUCT 2017-06-28
US-2019373895-A1 Branched polymeric biguanide compounds and their uses 2017-01-03
WO-2018128823-A1 Branched polymeric biguanide compounds and their uses 2017-01-03
US-11044912-B2 Branched polymeric biguanide compounds and their uses 2017-01-03
EP-3507325-A2 Compounds, compositons and methods related to antimicrobial applications 2016-08-31
WO-2018042367-A2 Compounds, compositons and methods related to antimicrobial applications 2016-08-31

Literatures

PMID Publication Date Title Journal
24411478 2014-02-01 Synthesis, in vitro antimalarial activity and cytotoxicity of novel 4-aminoquinolinyl-chalcone amides Bioorganic & medicinal chemistry
22905948 2012-09-26 Receptor-based detection of 2,4-dinitrotoluene using modified three-dimensionally ordered macroporous carbon electrodes ACS applied materials & interfaces
21527495 2012-08-01 Improved synthesis of hyaluronic acid hydrogel and its effect on tissue augmentation Journal of biomaterials applications
21645885 2011-09-06 1-Deoxy-D-galactonojirimycins with dansyl capped N-substituents as β-galactosidase inhibitors and potential probes for GM1 gangliosidosis affected cell lines Carbohydrate research
20658209 2011-01-01 Immobilization of phenylalanine dehydrogenase and its application in flow-injection analysis system for determination of plasma phenylalanine Applied biochemistry and biotechnology
20978689 2011-01-01 Factors affecting variability in the urinary biomarker 1,6-hexamethylene diamine in workers exposed to 1,6-hexamethylene diisocyanate Journal of environmental monitoring : JEM
21674322 2011-01-01 Enzymatically catalyzed conjugation of a biodegradable polymer to proteins and small molecules using microbial transglutaminase Methods in molecular biology (Clifton, N.J.)
20530123 2010-08-01 Urine 1,6-hexamethylene diamine (HDA) levels among workers exposed to 1,6-hexamethylene diisocyanate (HDI) The Annals of occupational hygiene
20445846 2010-03-01 Effect of creatinine and specific gravity normalization on urinary biomarker 1,6-hexamethylene diamine Journal of environmental monitoring : JEM
20078098 2010-02-17 Effect of cross-linking reagents for hyaluronic acid hydrogel dermal fillers on tissue augmentation and regeneration Bioconjugate chemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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