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114048-99-6 | Urea, N-[4-(2-formylhydrazinyl)phenyl]-N'-pentyl-
CAS No: 114048-99-6 Catalog No: AG000AES MDL No:
Product Description
Catalog Number:
AG000AES
Chemical Name:
Urea, N-[4-(2-formylhydrazinyl)phenyl]-N'-pentyl-
CAS Number:
114048-99-6
Molecular Formula:
C13H20N4O2
Molecular Weight:
264.3235
IUPAC Name:
N-[4-(pentylcarbamoylamino)anilino]formamide
InChI:
InChI=1S/C13H20N4O2/c1-2-3-4-9-14-13(19)16-11-5-7-12(8-6-11)17-15-10-18/h5-8,10,17H,2-4,9H2,1H3,(H,15,18)(H2,14,16,19)
InChI Key:
IJYQVERSGOZHSA-UHFFFAOYSA-N
SMILES:
CCCCCNC(=O)Nc1ccc(cc1)NNC=O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.159g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
264.329g/mol
Monoisotopic Mass:
264.159g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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