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1245642-79-8 | 1-Pyrrolidinecarboxylic acid, 3-[(methylamino)methyl]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1245642-79-8 Catalog No: AG000M79 MDL No:MFCD11616684
Product Description
Catalog Number:
AG000M79
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[(methylamino)methyl]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1245642-79-8
Molecular Formula:
C11H22N2O2
Molecular Weight:
214.3046
MDL Number:
MFCD11616684
IUPAC Name:
tert-butyl (3S)-3-(methylaminomethyl)pyrrolidine-1-carboxylate
InChI:
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-6-5-9(8-13)7-12-4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
InChI Key:
WUTNESNBEPKXRB-VIFPVBQESA-N
SMILES:
CNC[C@@H]1CCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
214.168g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.309g/mol
Monoisotopic Mass:
214.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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