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114828-50-1 | Benzenamine, N,N-dimethyl-4-[3-(2-pyrenyl)propyl]-
CAS No: 114828-50-1 Catalog No: AG000FAV MDL No:
Product Description
Catalog Number:
AG000FAV
Chemical Name:
Benzenamine, N,N-dimethyl-4-[3-(2-pyrenyl)propyl]-
CAS Number:
114828-50-1
Molecular Formula:
C27H25N
Molecular Weight:
363.4941
IUPAC Name:
N,N-dimethyl-4-(3-pyren-2-ylpropyl)aniline
InChI:
InChI=1S/C27H25N/c1-28(2)25-15-9-19(10-16-25)5-3-6-20-17-23-13-11-21-7-4-8-22-12-14-24(18-20)27(23)26(21)22/h4,7-18H,3,5-6H2,1-2H3
InChI Key:
DRYWZSMRABUHIB-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)CCCc1cc2ccc3c4c2c(c1)ccc4ccc3)C
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.199g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.504g/mol
Monoisotopic Mass:
363.199g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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