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72456-59-8 | LY-97119
CAS No: 72456-59-8 Catalog No: AG005HFI MDL No:
Product Description
Catalog Number:
AG005HFI
Chemical Name:
LY-97119
CAS Number:
72456-59-8
Molecular Formula:
C19H32ClN
Molecular Weight:
309.9171
IUPAC Name:
N-[4-(4-chlorophenyl)butyl]-N-ethylheptan-1-amine
InChI:
InChI=1S/C19H32ClN/c1-3-5-6-7-9-16-21(4-2)17-10-8-11-18-12-14-19(20)15-13-18/h12-15H,3-11,16-17H2,1-2H3
InChI Key:
XRXXKWOKXISVCY-UHFFFAOYSA-N
SMILES:
CCCCCCCc1c(CCCCN)ccc(c1CC)Cl
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.222g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.922g/mol
Monoisotopic Mass:
309.222g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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