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886364-95-0 | tert-Butyl 3-((pyridin-4-ylmethyl)amino)pyrrolidine-1-carboxylate
CAS No: 886364-95-0 Catalog No: AG0049LM MDL No:
Product Description
Catalog Number:
AG0049LM
Chemical Name:
tert-Butyl 3-((pyridin-4-ylmethyl)amino)pyrrolidine-1-carboxylate
CAS Number:
886364-95-0
Molecular Formula:
C15H23N3O2
Molecular Weight:
277.3620
IUPAC Name:
tert-butyl 3-(pyridin-4-ylmethylamino)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)18-9-6-13(11-18)17-10-12-4-7-16-8-5-12/h4-5,7-8,13,17H,6,9-11H2,1-3H3
InChI Key:
JPUYCBRZVLMKIS-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)NCc1ccncc1)OC(C)(C)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.179g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.368g/mol
Monoisotopic Mass:
277.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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