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10300-69-3 molecular structure
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2-chloroethanimidamide hydrochloride

ChemBase ID: 7834
Molecular Formular: C2H6Cl2N2
Molecular Mass: 128.98844
Monoisotopic Mass: 127.99080356
SMILES and InChIs

SMILES:
C(C(=N)N)Cl.Cl
Canonical SMILES:
NC(=N)CCl.Cl
InChI:
InChI=1S/C2H5ClN2.ClH/c3-1-2(4)5;/h1H2,(H3,4,5);1H
InChIKey:
GUPOZVHRTJYZCX-UHFFFAOYSA-N

Cite this record

CBID:7834 http://www.chembase.cn/molecule-7834.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloroethanimidamide hydrochloride
IUPAC Traditional name
2-chloroethanimidamide hydrochloride
Synonyms
2-Chloroacetamidine hydrochloride
2-Chloroethanimidamide hydrochloride
2-Chloracetamidine hydrochloride
Chloroacetamidine hydrochloride
2-chloroethanimidamide hydrochloride
2-Chloroacetimidamide hydrochloride
氯乙酰胺 盐酸盐
氯乙脒盐酸
CAS Number
10300-69-3
20846-52-0
EC Number
233-675-7
MDL Number
MFCD00053013
Beilstein Number
3678354
PubChem SID
160971141
24881342
PubChem CID
2776957

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.835684  LogD (pH = 7.4) -2.6540294 
Log P -0.42311633  Molar Refractivity 31.8132 cm3
Polarizability 8.177117 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
95 - 97°C expand Show data source
97-103°C expand Show data source
98-103 °C(lit.) expand Show data source
98-99°C expand Show data source
Hydrophobicity(logP)
-1.111 expand Show data source
Storage Warning
IRRITANT, MOISTURE SENSITIVE expand Show data source
Irritant/Moisture Sensitive/Store under Argon expand Show data source
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN3261 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
III expand Show data source
Risk Statements
34-43 expand Show data source
36/37/38 expand Show data source
Safety Statements
20-26-36/37/39-45 expand Show data source
26-36 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H314-H318-H317 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A expand Show data source
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
96% expand Show data source
97% expand Show data source
Salt Data
HCl expand Show data source
Linear Formula
ClCH2C(NH)NH2 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 591475 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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