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1289388-55-1 | 1-Pyrrolidinecarboxylic acid, 2-[[[1-(2-pyridinyl)ethyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS No: 1289388-55-1 Catalog No: AG000YNT MDL No:MFCD18837540
Product Description
Catalog Number:
AG000YNT
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[[[1-(2-pyridinyl)ethyl]amino]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1289388-55-1
Molecular Formula:
C17H27N3O2
Molecular Weight:
305.4152
MDL Number:
MFCD18837540
IUPAC Name:
tert-butyl 2-[(1-pyridin-2-ylethylamino)methyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C17H27N3O2/c1-13(15-9-5-6-10-18-15)19-12-14-8-7-11-20(14)16(21)22-17(2,3)4/h5-6,9-10,13-14,19H,7-8,11-12H2,1-4H3
InChI Key:
ICKLJMZYXGJZHD-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1CNC(c1ccccn1)C)OC(C)(C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.21g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.422g/mol
Monoisotopic Mass:
305.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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