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113915-64-3 | 4H-3,1-Benzoxazin-7-amine, 4-[4-(diethylamino)phenyl]-4-(4-methoxyphenyl)-N,N,6-trimethyl-2-phenyl-
CAS No: 113915-64-3 Catalog No: AG000A2P MDL No:
Product Description
Catalog Number:
AG000A2P
Chemical Name:
4H-3,1-Benzoxazin-7-amine, 4-[4-(diethylamino)phenyl]-4-(4-methoxyphenyl)-N,N,6-trimethyl-2-phenyl-
CAS Number:
113915-64-3
Molecular Formula:
C34H37N3O2
Molecular Weight:
519.6765
IUPAC Name:
4-[4-(diethylamino)phenyl]-4-(4-methoxyphenyl)-N,N,6-trimethyl-2-phenyl-3,1-benzoxazin-7-amine
InChI:
InChI=1S/C34H37N3O2/c1-7-37(8-2)28-18-14-26(15-19-28)34(27-16-20-29(38-6)21-17-27)30-22-24(3)32(36(4)5)23-31(30)35-33(39-34)25-12-10-9-11-13-25/h9-23H,7-8H2,1-6H3
InChI Key:
OBIHCWVSAKSGKY-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)C1(OC(=Nc2c1cc(C)c(c2)N(C)C)c1ccccc1)c1ccc(cc1)OC)CC
EC Number:
402-700-5
Properties
Complexity:
790
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
519.289g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
519.689g/mol
Monoisotopic Mass:
519.289g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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