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14607-47-7 | Ethanol, 2,2'-[[4-[(2-aminoethyl)amino]-3-nitrophenyl]imino]bis-, dihydrochloride (9CI)
CAS No: 14607-47-7 Catalog No: AG001DO8 MDL No:
Product Description
Catalog Number:
AG001DO8
Chemical Name:
Ethanol, 2,2'-[[4-[(2-aminoethyl)amino]-3-nitrophenyl]imino]bis-, dihydrochloride (9CI)
CAS Number:
14607-47-7
Molecular Formula:
C12H22Cl2N4O4
Molecular Weight:
357.2335
IUPAC Name:
2-[4-(2-aminoethylamino)-N-(2-hydroxyethyl)-3-nitroanilino]ethanol;dihydrochloride
InChI:
InChI=1S/C12H20N4O4.2ClH/c13-3-4-14-11-2-1-10(9-12(11)16(19)20)15(5-7-17)6-8-18;;/h1-2,9,14,17-18H,3-8,13H2;2*1H
InChI Key:
RQKYFMJDFNVSIG-UHFFFAOYSA-N
SMILES:
NCCNc1ccc(cc1[N+](=O)[O-])N(CCO)CCO.Cl.Cl
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.102g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
357.232g/mol
Monoisotopic Mass:
356.102g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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