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1197996-80-7 | Ethanone, 1,1'-[9-[2-[(1-methylethyl)amino]ethyl]-9H-carbazole-3,6-diyl]bis-
CAS No: 1197996-80-7 Catalog No: AG000PNG MDL No:
Product Description
Catalog Number:
AG000PNG
Chemical Name:
Ethanone, 1,1'-[9-[2-[(1-methylethyl)amino]ethyl]-9H-carbazole-3,6-diyl]bis-
CAS Number:
1197996-80-7
Molecular Formula:
C21H24N2O2
Molecular Weight:
336.4275
IUPAC Name:
1-[6-acetyl-9-[2-(propan-2-ylamino)ethyl]carbazol-3-yl]ethanone
InChI:
InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3
InChI Key:
JKCSODVERGVDLT-UHFFFAOYSA-N
SMILES:
CC(NCCn1c2ccc(cc2c2c1ccc(c2)C(=O)C)C(=O)C)C
UNII:
8XKR07H9ER
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.184g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.435g/mol
Monoisotopic Mass:
336.184g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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