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886362-35-2 | Benzyl 3-(1-amino-3-ethoxy-3-oxopropyl);piperidine-1-carboxylate
CAS No: 886362-35-2 Catalog No: AG004A59 MDL No:MFCD06796551
Product Description
Catalog Number:
AG004A59
Chemical Name:
Benzyl 3-(1-amino-3-ethoxy-3-oxopropyl);piperidine-1-carboxylate
CAS Number:
886362-35-2
Molecular Formula:
C18H26N2O4
Molecular Weight:
334.4100
MDL Number:
MFCD06796551
IUPAC Name:
benzyl 3-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
InChI:
InChI=1S/C18H26N2O4/c1-2-23-17(21)11-16(19)15-9-6-10-20(12-15)18(22)24-13-14-7-4-3-5-8-14/h3-5,7-8,15-16H,2,6,9-13,19H2,1H3
InChI Key:
PRUMDYGQYNISOT-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(C1CCCN(C1)C(=O)OCc1ccccc1)N
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.189g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.416g/mol
Monoisotopic Mass:
334.189g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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