200,000+ products from a single source!
sales@angenechem.com
1628557-02-7 | 1-Piperidinecarboxylic acid, 4-amino-3-fluoro-, 1,1-dimethylethyl ester, ethanedioate (1:1)
CAS No: 1628557-02-7 Catalog No: AG001THV MDL No:
Product Description
Catalog Number:
AG001THV
Chemical Name:
1-Piperidinecarboxylic acid, 4-amino-3-fluoro-, 1,1-dimethylethyl ester, ethanedioate (1:1)
CAS Number:
1628557-02-7
Molecular Formula:
C12H21FN2O6
Molecular Weight:
308.3033
IUPAC Name:
tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate;oxalic acid
InChI:
InChI=1S/C10H19FN2O2.C2H2O4/c1-10(2,3)15-9(14)13-5-4-8(12)7(11)6-13;3-1(4)2(5)6/h7-8H,4-6,12H2,1-3H3;(H,3,4)(H,5,6)
InChI Key:
CXQVFHJSPORZAA-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.NC1CCN(CC1F)C(=O)OC(C)(C)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.138g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
308.306g/mol
Monoisotopic Mass:
308.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.