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128802-95-9 | 2-Pyridinemethanamine, N-(3-pyridinylmethyl)-
CAS No: 128802-95-9 Catalog No: AG000YEA MDL No:MFCD02656617
Product Description
Catalog Number:
AG000YEA
Chemical Name:
2-Pyridinemethanamine, N-(3-pyridinylmethyl)-
CAS Number:
128802-95-9
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
MDL Number:
MFCD02656617
IUPAC Name:
1-pyridin-3-yl-N-(pyridin-2-ylmethyl)methanamine
InChI:
InChI=1S/C12H13N3/c1-2-7-15-12(5-1)10-14-9-11-4-3-6-13-8-11/h1-8,14H,9-10H2
InChI Key:
RJUVENGJVAGIJY-UHFFFAOYSA-N
SMILES:
c1ccc(nc1)CNCc1cccnc1
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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