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Home > Nitro Compounds > 474418-02-5
474418-02-5 | 1-methyl-N-(2-morpholinoethyl)-4-nitro-1H-pyrrole-2-carboxamide
CAS No: 474418-02-5 Catalog No: AG01DITS MDL No:
Product Description
Catalog Number:
AG01DITS
Chemical Name:
1-methyl-N-(2-morpholinoethyl)-4-nitro-1H-pyrrole-2-carboxamide
CAS Number:
474418-02-5
Molecular Formula:
C12H18N4O4
Molecular Weight:
282.2957
IUPAC Name:
1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrrole-2-carboxamide
InChI:
InChI=1S/C12H18N4O4/c1-14-9-10(16(18)19)8-11(14)12(17)13-2-3-15-4-6-20-7-5-15/h8-9H,2-7H2,1H3,(H,13,17)
InChI Key:
DKBOXFVPAOJJTJ-UHFFFAOYSA-N
SMILES:
O=C(c1cc(cn1C)[N+](=O)[O-])NCCN1CCOCC1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.133g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.3g/mol
Monoisotopic Mass:
282.133g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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