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506-59-2 molecular structure
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dimethylamine hydrochloride

ChemBase ID: 104930
Molecular Formular: C2H8ClN
Molecular Mass: 81.54462
Monoisotopic Mass: 81.03452694
SMILES and InChIs

SMILES:
Cl.CNC
Canonical SMILES:
CNC.Cl
InChI:
InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H
InChIKey:
IQDGSYLLQPDQDV-UHFFFAOYSA-N

Cite this record

CBID:104930 http://www.chembase.cn/molecule-104930.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethylamine hydrochloride
IUPAC Traditional name
dimethylamine hydrochloride
Synonyms
Dimethylammonium chloride
DIMETHYLAMINE HYDROCHLORIDE
Dimethylamine hydrochloride
二甲胺.盐酸盐
二甲胺 盐酸盐
CAS Number
506-59-2
EC Number
208-046-5
MDL Number
MFCD00012477
Beilstein Number
3589311
Merck Index
143228
PubChem SID
24847723
24864294
162091743
PubChem CID
10473

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.427765  LogD (pH = 7.4) -3.0703833 
Log P -0.19287847  Molar Refractivity 14.6934 cm3
Polarizability 5.9539757 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
168-174°C expand Show data source
170-173 °C(lit.) expand Show data source
Storage Condition
Room Temperature (15-30°C), Desiccate expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
IQ0220000 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
R:22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
S:25-26-36/37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (AT) expand Show data source
95+% expand Show data source
98% expand Show data source
98+% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Impurities
≤2% water expand Show data source
Linear Formula
(CH3)2NH · HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02157783 external link
Hydrochloride
NOT FOR EXPORT
Sigma Aldrich - 126365 external link
Packaging
1 kg in poly bottle
100, 500 g in poly bottle
5 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Chloride source giving a high degree of stereoselectivity in the ring opening of epoxy alcohols mediated by Titanium(IV) isopropoxide, A13703: Chem. Lett., 357 (1989).
  • • The Willgerodt reaction can be carried out at steam-bath temperature by the use of dimethylamine hydrochloride and sodium acetate in DMF in place of Morpholine, A10355: Synthesis, 730 (1983).
  • • Reductive amination of aldehydes and ketones occurs with titanium isopropoxide followed by sodium borohydride, giving a convenient route to N,N-dimethylated tertiary amines: J. Org. Chem., 60, 4928 (1995).
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PATENTS

PATENTS

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INTERNET

INTERNET

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