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144084-30-0 | Propanamide, 2-methyl-N-(1-pyrenylmethyl)-
CAS No: 144084-30-0 Catalog No: AG001IVP MDL No:
Product Description
Catalog Number:
AG001IVP
Chemical Name:
Propanamide, 2-methyl-N-(1-pyrenylmethyl)-
CAS Number:
144084-30-0
Molecular Formula:
C21H19NO
Molecular Weight:
301.3817
IUPAC Name:
2-methyl-N-(pyren-1-ylmethyl)propanamide
InChI:
InChI=1S/C21H19NO/c1-13(2)21(23)22-12-17-9-8-16-7-6-14-4-3-5-15-10-11-18(17)20(16)19(14)15/h3-11,13H,12H2,1-2H3,(H,22,23)
InChI Key:
WXLFZQKLUDCCJX-UHFFFAOYSA-N
SMILES:
CC(C(=O)NCc1ccc2c3c1ccc1c3c(cc2)ccc1)C
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.389g/mol
Monoisotopic Mass:
301.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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