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188978-98-5 | Ethanol, 2-[methyl[1-(2-nitrophenyl)ethyl]amino]-
CAS No: 188978-98-5 Catalog No: AG002HNB MDL No:
Product Description
Catalog Number:
AG002HNB
Chemical Name:
Ethanol, 2-[methyl[1-(2-nitrophenyl)ethyl]amino]-
CAS Number:
188978-98-5
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
IUPAC Name:
2-[methyl-[1-(2-nitrophenyl)ethyl]amino]ethanol
InChI:
InChI=1S/C11H16N2O3/c1-9(12(2)7-8-14)10-5-3-4-6-11(10)13(15)16/h3-6,9,14H,7-8H2,1-2H3
InChI Key:
OYUKJTXFUWAPBL-UHFFFAOYSA-N
SMILES:
OCCN(C(c1ccccc1[N+](=O)[O-])C)C
Properties
Complexity:
230
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:
4
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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