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1086397-98-9 | 3-Boc-Aminoethyl-1-Cbz-pyrrolidine
CAS No: 1086397-98-9 Catalog No: AG01FE1I MDL No:
Product Description
Catalog Number:
AG01FE1I
Chemical Name:
3-Boc-Aminoethyl-1-Cbz-pyrrolidine
CAS Number:
1086397-98-9
Molecular Formula:
C19H28N2O4
Molecular Weight:
348.4366
IUPAC Name:
benzyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C19H28N2O4/c1-19(2,3)25-17(22)20-11-9-15-10-12-21(13-15)18(23)24-14-16-7-5-4-6-8-16/h4-8,15H,9-14H2,1-3H3,(H,20,22)
InChI Key:
PCYBREMPUMKNIB-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCC1CCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.205g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.443g/mol
Monoisotopic Mass:
348.205g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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