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124-42-5 molecular structure
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ethanimidamide hydrochloride

ChemBase ID: 86984
Molecular Formular: C2H7ClN2
Molecular Mass: 94.54338
Monoisotopic Mass: 94.02977591
SMILES and InChIs

SMILES:
N=C(N)C.Cl
Canonical SMILES:
CC(=N)N.Cl
InChI:
InChI=1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H
InChIKey:
WCQOBLXWLRDEQA-UHFFFAOYSA-N

Cite this record

CBID:86984 http://www.chembase.cn/molecule-86984.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethanimidamide hydrochloride
IUPAC Traditional name
acetamidine hydrochloride
Synonyms
Acetamidine hydrochloride
acetimidamide hydrochloride
ACETAMIDINE HYDROCHLORIDE
ethanimidamide hydrochloride
Ethanimidamide Hydrochloride
Acediamine Hydrochloride
Acetamidinium Chloride
Methylamidine Hydrochloride
乙脒 盐酸盐
乙脒盐酸盐
CAS Number
124-42-5
EC Number
204-700-9
MDL Number
MFCD00013016
Beilstein Number
3591762
Merck Index
1444
PubChem SID
24849795
162074100
PubChem CID
67170

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.3759153  LogD (pH = 7.4) -3.37563 
Log P -0.9604601  Molar Refractivity 27.06 cm3
Polarizability 6.279968 Å3 Polar Surface Area 49.87 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
165-170 °C(lit.) expand Show data source
168-175 °C expand Show data source
168-175°C expand Show data source
Hydrophobicity(logP)
-1.224 expand Show data source
Storage Warning
Hygroscopic expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-37 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
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
≥97.0% (NT) expand Show data source
95% expand Show data source
95+% expand Show data source
97% expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Salt Data
HCl expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
CH3C(=NH)NH2 · HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05211433 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 159158 external link
Packaging
100, 500 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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