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116285-44-0 | Phenol, 2-[[[3-[(1H-imidazol-5-ylmethylene)amino]propyl]imino]methyl]-
CAS No: 116285-44-0 Catalog No: AG000C42 MDL No:
Product Description
Catalog Number:
AG000C42
Chemical Name:
Phenol, 2-[[[3-[(1H-imidazol-5-ylmethylene)amino]propyl]imino]methyl]-
CAS Number:
116285-44-0
Molecular Formula:
C14H16N4O
Molecular Weight:
256.3030
IUPAC Name:
2-[3-(1H-imidazol-5-ylmethylideneamino)propyliminomethyl]phenol
InChI:
InChI=1S/C14H16N4O/c19-14-5-2-1-4-12(14)8-15-6-3-7-16-9-13-10-17-11-18-13/h1-2,4-5,8-11,19H,3,6-7H2,(H,17,18)
InChI Key:
LFVFWJLSKPYTSV-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C=NCCCN=Cc1cnc[nH]1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.309g/mol
Monoisotopic Mass:
256.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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