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114176-76-0 | 2H-1,3-Benzoxazine, 3,3'-(1,2-ethanediyl)bis[6-ethyl-3,4-dihydro-
CAS No: 114176-76-0 Catalog No: AG000AQJ MDL No:
Product Description
Catalog Number:
AG000AQJ
Chemical Name:
2H-1,3-Benzoxazine, 3,3'-(1,2-ethanediyl)bis[6-ethyl-3,4-dihydro-
CAS Number:
114176-76-0
Molecular Formula:
C22H28N2O2
Molecular Weight:
352.4699
IUPAC Name:
6-ethyl-3-[2-(6-ethyl-2,4-dihydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine
InChI:
InChI=1S/C22H28N2O2/c1-3-17-5-7-21-19(11-17)13-23(15-25-21)9-10-24-14-20-12-18(4-2)6-8-22(20)26-16-24/h5-8,11-12H,3-4,9-10,13-16H2,1-2H3
InChI Key:
FNQXBSIUIFUCHL-UHFFFAOYSA-N
SMILES:
CCc1ccc2c(c1)CN(CO2)CCN1COc2c(C1)cc(cc2)CC
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.215g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.478g/mol
Monoisotopic Mass:
352.215g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
24.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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