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100553-75-1 | 1,2-Ethanediamine, N1-(3-pyridinylmethyl)-
CAS No: 100553-75-1 Catalog No: AG0002C4 MDL No:
Product Description
Catalog Number:
AG0002C4
Chemical Name:
1,2-Ethanediamine, N1-(3-pyridinylmethyl)-
CAS Number:
100553-75-1
Molecular Formula:
C8H13N3
Molecular Weight:
151.2089
IUPAC Name:
N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
InChI:
InChI=1S/C8H13N3/c9-3-5-11-7-8-2-1-4-10-6-8/h1-2,4,6,11H,3,5,7,9H2
InChI Key:
HVEQXZIFRYMVFL-UHFFFAOYSA-N
SMILES:
NCCNCc1cccnc1
Properties
Complexity:
95.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.111g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
151.213g/mol
Monoisotopic Mass:
151.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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