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113962-89-3 | Urea, N-butyl-N'-(1-phenylethyl)-
CAS No: 113962-89-3 Catalog No: AG000A5S MDL No:
Product Description
Catalog Number:
AG000A5S
Chemical Name:
Urea, N-butyl-N'-(1-phenylethyl)-
CAS Number:
113962-89-3
Molecular Formula:
C13H20N2O
Molecular Weight:
220.3107
IUPAC Name:
1-butyl-3-(1-phenylethyl)urea
InChI:
InChI=1S/C13H20N2O/c1-3-4-10-14-13(16)15-11(2)12-8-6-5-7-9-12/h5-9,11H,3-4,10H2,1-2H3,(H2,14,15,16)
InChI Key:
AATIUZSOSDLYBV-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)NC(c1ccccc1)C
NSC Number:
204311
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.158g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.316g/mol
Monoisotopic Mass:
220.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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