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1363384-67-1 | 1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-4,4-difluoro-, 1,1-dimethylethyl ester, (2S)-
CAS No: 1363384-67-1 Catalog No: AG0011RA MDL No:MFCD22566249
Product Description
Catalog Number:
AG0011RA
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(aminomethyl)-4,4-difluoro-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
1363384-67-1
Molecular Formula:
C10H18F2N2O2
Molecular Weight:
236.2589
MDL Number:
MFCD22566249
IUPAC Name:
tert-butyl (2S)-2-(aminomethyl)-4,4-difluoropyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H18F2N2O2/c1-9(2,3)16-8(15)14-6-10(11,12)4-7(14)5-13/h7H,4-6,13H2,1-3H3/t7-/m0/s1
InChI Key:
MHRFRDWLNRHXMY-ZETCQYMHSA-N
SMILES:
NC[C@@H]1CC(CN1C(=O)OC(C)(C)C)(F)F
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
236.134g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.263g/mol
Monoisotopic Mass:
236.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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