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1255666-42-2 | 1-Piperidinecarboxylic acid, 2-(aminomethyl)-5,5-difluoro-, 1,1-dimethylethyl ester
CAS No: 1255666-42-2 Catalog No: AG000NVR MDL No:MFCD18433650
Product Description
Catalog Number:
AG000NVR
Chemical Name:
1-Piperidinecarboxylic acid, 2-(aminomethyl)-5,5-difluoro-, 1,1-dimethylethyl ester
CAS Number:
1255666-42-2
Molecular Formula:
C11H20F2N2O2
Molecular Weight:
250.2855
MDL Number:
MFCD18433650
IUPAC Name:
tert-butyl 2-(aminomethyl)-5,5-difluoropiperidine-1-carboxylate
InChI:
InChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-7-11(12,13)5-4-8(15)6-14/h8H,4-7,14H2,1-3H3
InChI Key:
MUTWMGXYRJTIHT-UHFFFAOYSA-N
SMILES:
NCC1CCC(CN1C(=O)OC(C)(C)C)(F)F
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.149g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.29g/mol
Monoisotopic Mass:
250.149g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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