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866822-28-8 | 1H-Inden-3-amine, N-(1,1-dimethylethyl)-1,2,6-triphenyl-
CAS No: 866822-28-8 Catalog No: AG004OAV MDL No:
Product Description
Catalog Number:
AG004OAV
Chemical Name:
1H-Inden-3-amine, N-(1,1-dimethylethyl)-1,2,6-triphenyl-
CAS Number:
866822-28-8
Molecular Formula:
C31H29N
Molecular Weight:
415.5687
IUPAC Name:
N-tert-butyl-2,3,5-triphenyl-3H-inden-1-amine
InChI:
InChI=1S/C31H29N/c1-31(2,3)32-30-26-20-19-25(22-13-7-4-8-14-22)21-27(26)28(23-15-9-5-10-16-23)29(30)24-17-11-6-12-18-24/h4-21,28,32H,1-3H3
InChI Key:
GREVKSRYQYUOLT-UHFFFAOYSA-N
SMILES:
CC(NC1=C(c2ccccc2)C(c2c1ccc(c2)c1ccccc1)c1ccccc1)(C)C
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.23g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
415.58g/mol
Monoisotopic Mass:
415.23g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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