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33229-34-4 | 2,2'-((4-((2-Hydroxyethyl)amino)-3-nitrophenyl)azanediyl)diethanol
CAS No: 33229-34-4 Catalog No: AG003F99 MDL No:MFCD00071762
Product Description
Catalog Number:
AG003F99
Chemical Name:
2,2'-((4-((2-Hydroxyethyl)amino)-3-nitrophenyl)azanediyl)diethanol
CAS Number:
33229-34-4
Molecular Formula:
C12H19N3O5
Molecular Weight:
285.2964
MDL Number:
MFCD00071762
IUPAC Name:
2-[4-[bis(2-hydroxyethyl)amino]-2-nitroanilino]ethanol
InChI:
InChI=1S/C12H19N3O5/c16-6-3-13-11-2-1-10(9-12(11)15(19)20)14(4-7-17)5-8-18/h1-2,9,13,16-18H,3-8H2
InChI Key:
MIWUTEVJIISHCP-UHFFFAOYSA-N
SMILES:
OCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO
EC Number:
251-410-3
UNII:
6C0EL1931V
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
285.3g/mol
Monoisotopic Mass:
285.132g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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