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87797-42-0 | 1-Naphthalenamine, 3,7-bis(1,1-dimethylethyl)-N-phenyl-
CAS No: 87797-42-0 Catalog No: AG004KS0 MDL No:
Product Description
Catalog Number:
AG004KS0
Chemical Name:
1-Naphthalenamine, 3,7-bis(1,1-dimethylethyl)-N-phenyl-
CAS Number:
87797-42-0
Molecular Formula:
C24H29N
Molecular Weight:
331.4938
IUPAC Name:
3,7-ditert-butyl-N-phenylnaphthalen-1-amine
InChI:
InChI=1S/C24H29N/c1-23(2,3)18-13-12-17-14-19(24(4,5)6)16-22(21(17)15-18)25-20-10-8-7-9-11-20/h7-16,25H,1-6H3
InChI Key:
YJTCKHJQRBWGAG-UHFFFAOYSA-N
SMILES:
CC(c1cc(Nc2ccccc2)c2c(c1)ccc(c2)C(C)(C)C)(C)C
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.23g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.503g/mol
Monoisotopic Mass:
331.23g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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