35017-43-7
1-PHENYL-3-(4-PYRIDYLMETHYL)UREA
Name1-PHENYL-3-(4-PYRIDYLMETHYL)UREA
1Identification
【Name】
1-PHENYL-3-(4-PYRIDYLMETHYL)UREA
【CAS】
【MDL】
MFCD00088631
【English Synonyms】
【Formula】
C13 H13 N3 O
【MolWeight】
227.266
【Inchi】
InChI=1S/C13H13N3O/c17-13(16-12-4-2-1-3-5-12)15-10-11-6-8-14-9-7-11/h1-9H,10H2,(H2,15,16,17)
【InChIKey】
InChIKey=JNBHWDRNHXYUJA-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)NC(=O)NCc2ccncc2
【MOL File】
1-PHENYL-3-(4-PYRIDY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PHENYL-3-(4-PYRIDYLMETHYL)UREA.cml