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14777-27-6 molecular structure
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methyl ethanecarboximidate hydrochloride

ChemBase ID: 150584
Molecular Formular: C3H8ClNO
Molecular Mass: 109.55472
Monoisotopic Mass: 109.02944156
SMILES and InChIs

SMILES:
CC(=N)OC.Cl
Canonical SMILES:
COC(=N)C.Cl
InChI:
InChI=1S/C3H7NO.ClH/c1-3(4)5-2;/h4H,1-2H3;1H
InChIKey:
WHYJXXISOUGFLJ-UHFFFAOYSA-N

Cite this record

CBID:150584 http://www.chembase.cn/molecule-150584.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl ethanecarboximidate hydrochloride
IUPAC Traditional name
methyl ethanecarboximidate hydrochloride
Synonyms
Methyl acetimidate hydrochloride
甲基乙酰亚胺酯 盐酸盐
CAS Number
14777-27-6
EC Number
238-843-3
MDL Number
MFCD00012571
Beilstein Number
3671581
PubChem SID
24855275
162244745
PubChem CID
10313100

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
254940 external link Add to cart Please log in.
Data Source Data ID
PubChem 10313100 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.9648132  LogD (pH = 7.4) -0.38567019 
Log P -0.09785681  Molar Refractivity 30.1537 cm3
Polarizability 7.6842756 Å3 Polar Surface Area 33.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
105 °C (dec.)(lit.) expand Show data source
RTECS
AK2950000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 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
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Grade
technical grade expand Show data source
Linear Formula
CH3C(=NH)OCH3 · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 254940 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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