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1158759-16-0 | 1-Piperidinecarboxylic acid, 3-(aminomethyl)-3-methyl-, 1,1-dimethylethyl ester
CAS No: 1158759-16-0 Catalog No: AG000H0X MDL No:MFCD12408579
Product Description
Catalog Number:
AG000H0X
Chemical Name:
1-Piperidinecarboxylic acid, 3-(aminomethyl)-3-methyl-, 1,1-dimethylethyl ester
CAS Number:
1158759-16-0
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
MDL Number:
MFCD12408579
IUPAC Name:
tert-butyl 3-(aminomethyl)-3-methylpiperidine-1-carboxylate
InChI:
InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-7-5-6-12(4,8-13)9-14/h5-9,13H2,1-4H3
InChI Key:
OTKNVRVCUGATSZ-UHFFFAOYSA-N
SMILES:
NCC1(C)CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
260
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:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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