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144597-07-9 | 1-Pyrenamine, 2,7-bis(1,1-dimethylethyl)-
CAS No: 144597-07-9 Catalog No: AG001JSO MDL No:
Product Description
Catalog Number:
AG001JSO
Chemical Name:
1-Pyrenamine, 2,7-bis(1,1-dimethylethyl)-
CAS Number:
144597-07-9
Molecular Formula:
C24H27N
Molecular Weight:
329.4779
IUPAC Name:
2,7-ditert-butylpyren-1-amine
InChI:
InChI=1S/C24H27N/c1-23(2,3)17-11-14-7-8-16-13-19(24(4,5)6)22(25)18-10-9-15(12-17)20(14)21(16)18/h7-13H,25H2,1-6H3
InChI Key:
KOENHPAFPMACBH-UHFFFAOYSA-N
SMILES:
Nc1c2ccc3c4c2c(cc1C(C)(C)C)ccc4cc(c3)C(C)(C)C
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.214g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.487g/mol
Monoisotopic Mass:
329.214g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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