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89151-15-5 | 1,3-Propanediamine, N-[1-(4-pyridinyl)ethyl]-
CAS No: 89151-15-5 Catalog No: AG003WSF MDL No:
Product Description
Catalog Number:
AG003WSF
Chemical Name:
1,3-Propanediamine, N-[1-(4-pyridinyl)ethyl]-
CAS Number:
89151-15-5
Molecular Formula:
C10H17N3
Molecular Weight:
179.2621
IUPAC Name:
N'-(1-pyridin-4-ylethyl)propane-1,3-diamine
InChI:
InChI=1S/C10H17N3/c1-9(13-6-2-5-11)10-3-7-12-8-4-10/h3-4,7-9,13H,2,5-6,11H2,1H3
InChI Key:
WYZRPHUTAWHOAY-UHFFFAOYSA-N
SMILES:
NCCCNC(c1ccncc1)C
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.142g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.267g/mol
Monoisotopic Mass:
179.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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