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63272-29-7 | N,N'-BIS(5-METHYLPYRIDIN-2-YL)UREA
CAS No: 63272-29-7 Catalog No: AG00EL4U MDL No:MFCD14280313
Product Description
Catalog Number:
AG00EL4U
Chemical Name:
N,N'-BIS(5-METHYLPYRIDIN-2-YL)UREA
CAS Number:
63272-29-7
Molecular Formula:
C13H14N4O
Molecular Weight:
242.2765
MDL Number:
MFCD14280313
IUPAC Name:
1,3-bis(5-methylpyridin-2-yl)urea
InChI:
InChI=1S/C13H14N4O/c1-9-3-5-11(14-7-9)16-13(18)17-12-6-4-10(2)8-15-12/h3-8H,1-2H3,(H2,14,15,16,17,18)
InChI Key:
UVINHCNJBKPUSO-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cn1)C)Nc1ccc(cn1)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.282g/mol
Monoisotopic Mass:
242.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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