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189894-41-5 | Phenol, 2-[[[2-(dimethylamino)ethyl]amino]methyl]-4-nitro-
CAS No: 189894-41-5 Catalog No: AG002E3Q MDL No:
Product Description
Catalog Number:
AG002E3Q
Chemical Name:
Phenol, 2-[[[2-(dimethylamino)ethyl]amino]methyl]-4-nitro-
CAS Number:
189894-41-5
Molecular Formula:
C11H17N3O3
Molecular Weight:
239.2710
IUPAC Name:
2-[[2-(dimethylamino)ethylamino]methyl]-4-nitrophenol
InChI:
InChI=1S/C11H17N3O3/c1-13(2)6-5-12-8-9-7-10(14(16)17)3-4-11(9)15/h3-4,7,12,15H,5-6,8H2,1-2H3
InChI Key:
OLFHUSIVHHNHOZ-UHFFFAOYSA-N
SMILES:
CN(CCNCc1cc(ccc1O)[N+](=O)[O-])C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.275g/mol
Monoisotopic Mass:
239.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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