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14777-27-6 | Ethanimidic acid, methyl ester, hydrochloride (1:1)
CAS No: 14777-27-6 Catalog No: AG001F6W MDL No:MFCD00012571
Product Description
Catalog Number:
AG001F6W
Chemical Name:
Ethanimidic acid, methyl ester, hydrochloride (1:1)
CAS Number:
14777-27-6
Molecular Formula:
C3H8ClNO
Molecular Weight:
109.5547
MDL Number:
MFCD00012571
IUPAC Name:
methyl ethanimidate;hydrochloride
InChI:
InChI=1S/C3H7NO.ClH/c1-3(4)5-2;/h4H,1-2H3;1H
InChI Key:
WHYJXXISOUGFLJ-UHFFFAOYSA-N
SMILES:
COC(=N)C.Cl
EC Number:
238-843-3
UNII:
05I74I2UQ2
Properties
Complexity:
42.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.029g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
109.553g/mol
Monoisotopic Mass:
109.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Ionizable isotopic labeling reagent for relative quantification of amine metabolites by mass spectrometry. | Analytical chemistry 20060915 |
| Conformational changes of the ferric uptake regulation protein upon metal activation and DNA binding; first evidence of structural homologies with the diphtheria toxin repressor. | Journal of molecular biology 20010629 |
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