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89151-14-4 | 1,3-Propanediamine, N-(4-pyridinylmethyl)-
CAS No: 89151-14-4 Catalog No: AG003WSG MDL No:
Product Description
Catalog Number:
AG003WSG
Chemical Name:
1,3-Propanediamine, N-(4-pyridinylmethyl)-
CAS Number:
89151-14-4
Molecular Formula:
C9H15N3
Molecular Weight:
165.2355
IUPAC Name:
N'-(pyridin-4-ylmethyl)propane-1,3-diamine
InChI:
InChI=1S/C9H15N3/c10-4-1-5-12-8-9-2-6-11-7-3-9/h2-3,6-7,12H,1,4-5,8,10H2
InChI Key:
GACMFEVVJKDROM-UHFFFAOYSA-N
SMILES:
NCCCNCc1ccncc1
Properties
Complexity:
99.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.127g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.24g/mol
Monoisotopic Mass:
165.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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