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1260824-52-9 | 1-Pyrrolidinecarboxylic acid, 3-(aminomethyl)-4-fluoro-, 1,1-dimethylethyl ester
CAS No: 1260824-52-9 Catalog No: AG000REE MDL No:
Product Description
Catalog Number:
AG000REE
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(aminomethyl)-4-fluoro-, 1,1-dimethylethyl ester
CAS Number:
1260824-52-9
Molecular Formula:
C10H19FN2O2
Molecular Weight:
218.2685
IUPAC Name:
tert-butyl 3-(aminomethyl)-4-fluoropyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-7(4-12)8(11)6-13/h7-8H,4-6,12H2,1-3H3
InChI Key:
WWJQJSHXCBBXRO-UHFFFAOYSA-N
SMILES:
NCC1CN(CC1F)C(=O)OC(C)(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.143g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.272g/mol
Monoisotopic Mass:
218.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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