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198065-80-4 | Benzoic acid, 4-[[(1-iminopentyl)amino]methyl]-, methyl ester
CAS No: 198065-80-4 Catalog No: AG002B9D MDL No:
Product Description
Catalog Number:
AG002B9D
Chemical Name:
Benzoic acid, 4-[[(1-iminopentyl)amino]methyl]-, methyl ester
CAS Number:
198065-80-4
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
IUPAC Name:
methyl 4-[(1-aminopentylideneamino)methyl]benzoate
InChI:
InChI=1S/C14H20N2O2/c1-3-4-5-13(15)16-10-11-6-8-12(9-7-11)14(17)18-2/h6-9H,3-5,10H2,1-2H3,(H2,15,16)
InChI Key:
XUIDVJBNUUNIFO-UHFFFAOYSA-N
SMILES:
CCCCC(=N)NCc1ccc(cc1)C(=O)OC
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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