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15982-54-4 | 1(4H)-Naphthalenone, 2-[[(1,1-dimethylethyl)amino]phenylmethyl]-4,4-dimethyl-
CAS No: 15982-54-4 Catalog No: AG001REX MDL No:
Product Description
Catalog Number:
AG001REX
Chemical Name:
1(4H)-Naphthalenone, 2-[[(1,1-dimethylethyl)amino]phenylmethyl]-4,4-dimethyl-
CAS Number:
15982-54-4
Molecular Formula:
C23H27NO
Molecular Weight:
333.4666
IUPAC Name:
2-[(tert-butylamino)-phenylmethyl]-4,4-dimethylnaphthalen-1-one
InChI:
InChI=1S/C23H27NO/c1-22(2,3)24-20(16-11-7-6-8-12-16)18-15-23(4,5)19-14-10-9-13-17(19)21(18)25/h6-15,20,24H,1-5H3
InChI Key:
UAZPYFWXSMGWHR-UHFFFAOYSA-N
SMILES:
O=C1C(=CC(c2c1cccc2)(C)C)C(c1ccccc1)NC(C)(C)C
NSC Number:
150347
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.209g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.475g/mol
Monoisotopic Mass:
333.209g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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