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10004-39-4 | Benzenamine, 4-[5-(2-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-oxazolyl]-N,N-dipropyl-
CAS No: 10004-39-4 Catalog No: AG0000N8 MDL No:
Product Description
Catalog Number:
AG0000N8
Chemical Name:
Benzenamine, 4-[5-(2-chlorophenyl)-4-[4-(dimethylamino)phenyl]-2-oxazolyl]-N,N-dipropyl-
CAS Number:
10004-39-4
Molecular Formula:
C29H32ClN3O
Molecular Weight:
474.0369
IUPAC Name:
4-[5-(2-chlorophenyl)-2-[4-(dipropylamino)phenyl]-1,3-oxazol-4-yl]-N,N-dimethylaniline
InChI:
InChI=1S/C29H32ClN3O/c1-5-19-33(20-6-2)24-17-13-22(14-18-24)29-31-27(21-11-15-23(16-12-21)32(3)4)28(34-29)25-9-7-8-10-26(25)30/h7-18H,5-6,19-20H2,1-4H3
InChI Key:
CXUCBMXRZGCJIZ-UHFFFAOYSA-N
SMILES:
CCCN(c1ccc(cc1)c1nc(c(o1)c1ccccc1Cl)c1ccc(cc1)N(C)C)CCC
EC Number:
232-999-6
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.223g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
474.045g/mol
Monoisotopic Mass:
473.223g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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