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14608-13-0 | Ethanol, 2-[[2-(diethylamino)ethyl][4-(methylamino)-3-nitrophenyl]amino]-, hydrochloride (1:2)
CAS No: 14608-13-0 Catalog No: AG001DO7 MDL No:
Product Description
Catalog Number:
AG001DO7
Chemical Name:
Ethanol, 2-[[2-(diethylamino)ethyl][4-(methylamino)-3-nitrophenyl]amino]-, hydrochloride (1:2)
CAS Number:
14608-13-0
Molecular Formula:
C15H28Cl2N4O3
Molecular Weight:
383.3138
IUPAC Name:
2-[N-[2-(diethylamino)ethyl]-4-(methylamino)-3-nitroanilino]ethanol;dihydrochloride
InChI:
InChI=1S/C15H26N4O3.2ClH/c1-4-17(5-2)8-9-18(10-11-20)13-6-7-14(16-3)15(12-13)19(21)22;;/h6-7,12,16,20H,4-5,8-11H2,1-3H3;2*1H
InChI Key:
HZKJRXKCBIZDAW-UHFFFAOYSA-N
SMILES:
OCCN(c1ccc(c(c1)[N+](=O)[O-])NC)CCN(CC)CC.Cl.Cl
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.154g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
383.314g/mol
Monoisotopic Mass:
382.154g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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