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199117-05-0 | 1,3-Propanediamine, N1,N1-bis(2-pyridinylmethyl)-
CAS No: 199117-05-0 Catalog No: AG002BWG MDL No:
Product Description
Catalog Number:
AG002BWG
Chemical Name:
1,3-Propanediamine, N1,N1-bis(2-pyridinylmethyl)-
CAS Number:
199117-05-0
Molecular Formula:
C15H20N4
Molecular Weight:
256.3461
IUPAC Name:
N',N'-bis(pyridin-2-ylmethyl)propane-1,3-diamine
InChI:
InChI=1S/C15H20N4/c16-8-5-11-19(12-14-6-1-3-9-17-14)13-15-7-2-4-10-18-15/h1-4,6-7,9-10H,5,8,11-13,16H2
InChI Key:
OCFHHQYQNORFHC-UHFFFAOYSA-N
SMILES:
NCCCN(Cc1ccccn1)Cc1ccccn1
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.169g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.353g/mol
Monoisotopic Mass:
256.169g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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