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10228-08-7 | Ethanol, 2-[[4-[(2-hydroxyethyl)amino]-3-nitrophenyl]methylamino]-
CAS No: 10228-08-7 Catalog No: AG00073X MDL No:
Product Description
Catalog Number:
AG00073X
Chemical Name:
Ethanol, 2-[[4-[(2-hydroxyethyl)amino]-3-nitrophenyl]methylamino]-
CAS Number:
10228-08-7
Molecular Formula:
C11H17N3O4
Molecular Weight:
255.2704
IUPAC Name:
2-[[4-(2-hydroxyethylamino)-3-nitrophenyl]methylamino]ethanol
InChI:
InChI=1S/C11H17N3O4/c15-5-3-12-8-9-1-2-10(13-4-6-16)11(7-9)14(17)18/h1-2,7,12-13,15-16H,3-6,8H2
InChI Key:
GVUPMJHNZWMRMC-UHFFFAOYSA-N
SMILES:
OCCNCc1ccc(c(c1)[N+](=O)[O-])NCCO
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
255.274g/mol
Monoisotopic Mass:
255.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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