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88048-53-7 | Benzeneethanamine, N-[2-(2,2-di-1H-indol-3-ylethyl)phenyl]-
CAS No: 88048-53-7 Catalog No: AG004M1R MDL No:
Product Description
Catalog Number:
AG004M1R
Chemical Name:
Benzeneethanamine, N-[2-(2,2-di-1H-indol-3-ylethyl)phenyl]-
CAS Number:
88048-53-7
Molecular Formula:
C32H29N3
Molecular Weight:
455.5928
IUPAC Name:
2-[2,2-bis(1H-indol-3-yl)ethyl]-N-(2-phenylethyl)aniline
InChI:
InChI=1S/C32H29N3/c1-2-10-23(11-3-1)18-19-33-30-15-7-4-12-24(30)20-27(28-21-34-31-16-8-5-13-25(28)31)29-22-35-32-17-9-6-14-26(29)32/h1-17,21-22,27,33-35H,18-20H2
InChI Key:
XOPFLMDLYOCBJO-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCNc1ccccc1CC(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
455.236g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
455.605g/mol
Monoisotopic Mass:
455.236g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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