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142031-45-6 | Urea, N-[3-[(3-methylphenyl)propylamino]propyl]-
CAS No: 142031-45-6 Catalog No: AG001HM0 MDL No:
Product Description
Catalog Number:
AG001HM0
Chemical Name:
Urea, N-[3-[(3-methylphenyl)propylamino]propyl]-
CAS Number:
142031-45-6
Molecular Formula:
C14H23N3O
Molecular Weight:
249.3519
IUPAC Name:
3-[3-(3-methylphenyl)propylamino]propylurea
InChI:
InChI=1S/C14H23N3O/c1-12-5-2-6-13(11-12)7-3-8-16-9-4-10-17-14(15)18/h2,5-6,11,16H,3-4,7-10H2,1H3,(H3,15,17,18)
InChI Key:
QVDQPLAZWNVPIL-UHFFFAOYSA-N
SMILES:
NC(=O)NCCCNCCCc1cccc(c1)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.184g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
249.358g/mol
Monoisotopic Mass:
249.184g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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