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864684-95-7 | 1-Piperidinecarboxylicacid, 3-(2,2-diethoxyethoxy)-, phenylmethyl ester
CAS No: 864684-95-7 Catalog No: AG004MZI MDL No:
Product Description
Catalog Number:
AG004MZI
Chemical Name:
1-Piperidinecarboxylicacid, 3-(2,2-diethoxyethoxy)-, phenylmethyl ester
CAS Number:
864684-95-7
Molecular Formula:
C19H29NO5
Molecular Weight:
351.4373
IUPAC Name:
benzyl 3-(2,2-diethoxyethoxy)piperidine-1-carboxylate
InChI:
InChI=1S/C19H29NO5/c1-3-22-18(23-4-2)15-24-17-11-8-12-20(13-17)19(21)25-14-16-9-6-5-7-10-16/h5-7,9-10,17-18H,3-4,8,11-15H2,1-2H3
InChI Key:
MXEYBNMIUNYEPC-UHFFFAOYSA-N
SMILES:
CCOC(COC1CCCN(C1)C(=O)OCc1ccccc1)OCC
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.205g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.443g/mol
Monoisotopic Mass:
351.205g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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