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98683-00-2 | N-Phenyl-1-anthramine
CAS No: 98683-00-2 Catalog No: AG003TAZ MDL No:
Product Description
Catalog Number:
AG003TAZ
Chemical Name:
N-Phenyl-1-anthramine
CAS Number:
98683-00-2
Molecular Formula:
C20H15N
Molecular Weight:
269.3398
IUPAC Name:
N-phenylanthracen-1-amine
InChI:
InChI=1S/C20H15N/c1-2-10-18(11-3-1)21-20-12-6-9-17-13-15-7-4-5-8-16(15)14-19(17)20/h1-14,21H
InChI Key:
QCOIZKZASBFCJG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Nc1cccc2c1cc1ccccc1c2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.12g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.347g/mol
Monoisotopic Mass:
269.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
Literature
| Title | Journal |
|---|---|
| A supramolecular system for quantifying aromatic stacking interactions. | Chemistry (Weinheim an der Bergstrasse, Germany) 20011119 |
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