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1245645-35-5 | 1-Piperidinecarboxylic acid, 2-[(methylamino)methyl]-, 1,1-dimethylethyl ester
CAS No: 1245645-35-5 Catalog No: AG000M9G MDL No:MFCD08460613
Product Description
Catalog Number:
AG000M9G
Chemical Name:
1-Piperidinecarboxylic acid, 2-[(methylamino)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1245645-35-5
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
MDL Number:
MFCD08460613
IUPAC Name:
tert-butyl 2-(methylaminomethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-8-6-5-7-10(14)9-13-4/h10,13H,5-9H2,1-4H3
InChI Key:
MDSFYYLVYHYPGW-UHFFFAOYSA-N
SMILES:
CNCC1CCCCN1C(=O)OC(C)(C)C
Properties
Complexity:
236
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:
1
Isotope Atom Count:
0
Molecular Weight:
228.336g/mol
Monoisotopic Mass:
228.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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