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259731-83-4 | 1,2-Ethanediamine, N1-4-quinolinyl-
CAS No: 259731-83-4 Catalog No: AG002R91 MDL No:
Product Description
Catalog Number:
AG002R91
Chemical Name:
1,2-Ethanediamine, N1-4-quinolinyl-
CAS Number:
259731-83-4
Molecular Formula:
C11H13N3
Molecular Weight:
187.2410
IUPAC Name:
N'-quinolin-4-ylethane-1,2-diamine
InChI:
InChI=1S/C11H13N3/c12-6-8-14-11-5-7-13-10-4-2-1-3-9(10)11/h1-5,7H,6,8,12H2,(H,13,14)
InChI Key:
VFWKJZJCYMNIRF-UHFFFAOYSA-N
SMILES:
NCCNc1ccnc2c1cccc2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.111g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
187.246g/mol
Monoisotopic Mass:
187.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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