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101123-68-6 | 1-(3-(Dimethylamino)propionyl)-4-phenyl-4-piperidinecarboxaldehyde pic rate
CAS No: 101123-68-6 Catalog No: AG009OC4 MDL No:
Product Description
Catalog Number:
AG009OC4
Chemical Name:
1-(3-(Dimethylamino)propionyl)-4-phenyl-4-piperidinecarboxaldehyde pic rate
CAS Number:
101123-68-6
IUPAC Name:
1-[(2S)-2-(dimethylamino)propanoyl]-4-phenylpiperidine-4-carbaldehyde;2,4,6-trinitrophenol
InChI:
InChI=1S/C17H24N2O2.C6H3N3O7/c1-14(18(2)3)16(21)19-11-9-17(13-20,10-12-19)15-7-5-4-6-8-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8,13-14H,9-12H2,1-3H3;1-2,10H/t14-;/m0./s1
InChI Key:
DIQBHGOTFOOJQM-UQKRIMTDSA-N
Properties
Complexity:
659
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
517.181g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
517.495g/mol
Monoisotopic Mass:
517.181g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
198A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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