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1247791-84-9 | 2-[Ethyl-(3-nitro-benzyl)-amino]-ethanol
CAS No: 1247791-84-9 Catalog No: AG01FBXD MDL No:
Product Description
Catalog Number:
AG01FBXD
Chemical Name:
2-[Ethyl-(3-nitro-benzyl)-amino]-ethanol
CAS Number:
1247791-84-9
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
IUPAC Name:
2-[ethyl-[(3-nitrophenyl)methyl]amino]ethanol
InChI:
InChI=1S/C11H16N2O3/c1-2-12(6-7-14)9-10-4-3-5-11(8-10)13(15)16/h3-5,8,14H,2,6-7,9H2,1H3
InChI Key:
QQGCZIYTLMWIJW-UHFFFAOYSA-N
SMILES:
OCCN(Cc1cccc(c1)[N+](=O)[O-])CC
Properties
Complexity:
218
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:
1.6
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