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106790-70-9 | 2-[Ethyl-(4-nitro-benzyl)-amino]-ethanol
CAS No: 106790-70-9 Catalog No: AG01FBRM MDL No:
Product Description
Catalog Number:
AG01FBRM
Chemical Name:
2-[Ethyl-(4-nitro-benzyl)-amino]-ethanol
CAS Number:
106790-70-9
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
IUPAC Name:
2-[ethyl-[(4-nitrophenyl)methyl]amino]ethanol
InChI:
InChI=1S/C11H16N2O3/c1-2-12(7-8-14)9-10-3-5-11(6-4-10)13(15)16/h3-6,14H,2,7-9H2,1H3
InChI Key:
WNVOVCIAMGKZAS-UHFFFAOYSA-N
SMILES:
OCCN(Cc1ccc(cc1)[N+](=O)[O-])CC
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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