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75090-53-8 | 1,3-Propanediamine,N1-4-quinolinyl-
CAS No: 75090-53-8 Catalog No: AG0056RP MDL No:
Product Description
Catalog Number:
AG0056RP
Chemical Name:
1,3-Propanediamine,N1-4-quinolinyl-
CAS Number:
75090-53-8
Molecular Formula:
C12H15N3
Molecular Weight:
201.2676
IUPAC Name:
N'-quinolin-4-ylpropane-1,3-diamine
InChI:
InChI=1S/C12H15N3/c13-7-3-8-14-12-6-9-15-11-5-2-1-4-10(11)12/h1-2,4-6,9H,3,7-8,13H2,(H,14,15)
InChI Key:
CYDKFQOINLSDGY-UHFFFAOYSA-N
SMILES:
NCCCNc1ccnc2c1cccc2
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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