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22928-85-4 | Pyridinium, 1-[(ethoxycarbonyl)amino]-4-methyl-, inner salt (9CI)
CAS No: 22928-85-4 Catalog No: AG002LJ5 MDL No:
Product Description
Catalog Number:
AG002LJ5
Chemical Name:
Pyridinium, 1-[(ethoxycarbonyl)amino]-4-methyl-, inner salt (9CI)
CAS Number:
22928-85-4
Molecular Formula:
C9H14N2O2
Molecular Weight:
182.2197
IUPAC Name:
ethyl N-(4-methylpyridin-1-ium-1-yl)carbamate
InChI:
InChI=1S/C9H12N2O2/c1-3-13-9(12)10-11-6-4-8(2)5-7-11/h4-7H,3H2,1-2H3/p+1
InChI Key:
WCYAZUFOBJBUTC-UHFFFAOYSA-O
SMILES:
CCOC(=O)NN1CC=C(C=C1)C
NSC Number:
126676
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.098g/mol
Formal Charge:
1
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.215g/mol
Monoisotopic Mass:
181.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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