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1000576-83-9 | 1-Piperidinecarboxylic acid, 3-(dimethylamino)-, 1,1-dimethylethyl ester
CAS No: 1000576-83-9 Catalog No: AG0000QV MDL No:MFCD09878592
Product Description
Catalog Number:
AG0000QV
Chemical Name:
1-Piperidinecarboxylic acid, 3-(dimethylamino)-, 1,1-dimethylethyl ester
CAS Number:
1000576-83-9
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
MDL Number:
MFCD09878592
IUPAC Name:
tert-butyl 3-(dimethylamino)piperidine-1-carboxylate
InChI:
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-6-7-10(9-14)13(4)5/h10H,6-9H2,1-5H3
InChI Key:
HFIAGQNFPTWBQZ-UHFFFAOYSA-N
SMILES:
CN(C1CCCN(C1)C(=O)OC(C)(C)C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.184g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.336g/mol
Monoisotopic Mass:
228.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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