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18982-49-5 | Benzenamine, N,N-diethyl-4-(2-nitro-1-propen-1-yl)-
CAS No: 18982-49-5 Catalog No: AG002E0Q MDL No:
Product Description
Catalog Number:
AG002E0Q
Chemical Name:
Benzenamine, N,N-diethyl-4-(2-nitro-1-propen-1-yl)-
CAS Number:
18982-49-5
Molecular Formula:
C13H18N2O2
Molecular Weight:
234.2942
IUPAC Name:
N,N-diethyl-4-(2-nitroprop-1-enyl)aniline
InChI:
InChI=1S/C13H18N2O2/c1-4-14(5-2)13-8-6-12(7-9-13)10-11(3)15(16)17/h6-10H,4-5H2,1-3H3
InChI Key:
MEDBMWMDRLOCBS-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)C=C([N+](=O)[O-])C)CC
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.299g/mol
Monoisotopic Mass:
234.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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