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139004-93-6 | Carbamic acid, N-[(2S)-2-piperidinylmethyl]-, 1,1-dimethylethyl ester
CAS No: 139004-93-6 Catalog No: AG001A04 MDL No:MFCD11975335
Product Description
Catalog Number:
AG001A04
Chemical Name:
Carbamic acid, N-[(2S)-2-piperidinylmethyl]-, 1,1-dimethylethyl ester
CAS Number:
139004-93-6
Molecular Formula:
C11H22N2O2
Molecular Weight:
214.3046
MDL Number:
MFCD11975335
IUPAC Name:
tert-butyl N-[[(2S)-piperidin-2-yl]methyl]carbamate
InChI:
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-9-6-4-5-7-12-9/h9,12H,4-8H2,1-3H3,(H,13,14)/t9-/m0/s1
InChI Key:
DIRUVVRMWMDZAE-VIFPVBQESA-N
SMILES:
O=C(OC(C)(C)C)NC[C@@H]1CCCCN1
Properties
Complexity:
211
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:
2
Isotope Atom Count:
0
Molecular Weight:
214.309g/mol
Monoisotopic Mass:
214.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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