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876659-83-5 | Urea, N,N'-dimethyl-N-[[(3-phenylpropyl)imino]methyl]-
CAS No: 876659-83-5 Catalog No: AG004H6M MDL No:
Product Description
Catalog Number:
AG004H6M
Chemical Name:
Urea, N,N'-dimethyl-N-[[(3-phenylpropyl)imino]methyl]-
CAS Number:
876659-83-5
Molecular Formula:
C13H19N3O
Molecular Weight:
233.3095
IUPAC Name:
1,3-dimethyl-1-(3-phenylpropyliminomethyl)urea
InChI:
InChI=1S/C13H19N3O/c1-14-13(17)16(2)11-15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,14,17)
InChI Key:
ASVJJNFIQHVZQP-UHFFFAOYSA-N
SMILES:
CNC(=O)N(C=NCCCc1ccccc1)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.153g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.315g/mol
Monoisotopic Mass:
233.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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