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850010-15-0 | 1-Butanone, 3-[(2-aminopropyl)imino]-1-phenyl-
CAS No: 850010-15-0 Catalog No: AG0050XS MDL No:
Product Description
Catalog Number:
AG0050XS
Chemical Name:
1-Butanone, 3-[(2-aminopropyl)imino]-1-phenyl-
CAS Number:
850010-15-0
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
3-(2-aminopropylimino)-1-phenylbutan-1-one
InChI:
InChI=1S/C13H18N2O/c1-10(14)9-15-11(2)8-13(16)12-6-4-3-5-7-12/h3-7,10H,8-9,14H2,1-2H3
InChI Key:
DJMKDETYGZHZHU-UHFFFAOYSA-N
SMILES:
CC(CN=C(CC(=O)c1ccccc1)C)N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Rare example of mu-nitrito-1kappa2O,O':2kappaO coordinating mode in copper(II) nitrite complexes with monoanionic tridentate Schiff base ligands: structure, magnetic, and electrochemical properties. | Inorganic chemistry 20081215 |
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