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887579-34-2 | 1-Pyrrolidinecarboxylicacid, 3-[[3-(4-morpholinyl)propyl]amino]-, 1,1-dimethylethyl ester
CAS No: 887579-34-2 Catalog No: AG004CEN MDL No:
Product Description
Catalog Number:
AG004CEN
Chemical Name:
1-Pyrrolidinecarboxylicacid, 3-[[3-(4-morpholinyl)propyl]amino]-, 1,1-dimethylethyl ester
CAS Number:
887579-34-2
Molecular Formula:
C16H31N3O3
Molecular Weight:
313.4356
IUPAC Name:
tert-butyl 3-(3-morpholin-4-ylpropylamino)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C16H31N3O3/c1-16(2,3)22-15(20)19-8-5-14(13-19)17-6-4-7-18-9-11-21-12-10-18/h14,17H,4-13H2,1-3H3
InChI Key:
PUEYXQZXJSKCCE-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)NCCCN1CCOCC1)OC(C)(C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.237g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.442g/mol
Monoisotopic Mass:
313.237g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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