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325145-35-5 | (S)-1-Boc-2-ethylpiperazine
CAS No: 325145-35-5 Catalog No: AG0032GF MDL No:MFCD07772100
Product Description
Catalog Number:
AG0032GF
Chemical Name:
(S)-1-Boc-2-ethylpiperazine
CAS Number:
325145-35-5
Molecular Formula:
C11H22N2O2
Molecular Weight:
214.3046
MDL Number:
MFCD07772100
IUPAC Name:
tert-butyl (2S)-2-ethylpiperazine-1-carboxylate
InChI:
InChI=1S/C11H22N2O2/c1-5-9-8-12-6-7-13(9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
InChI Key:
CTCGRXDGXGUOTE-VIFPVBQESA-N
SMILES:
CC[C@H]1CNCCN1C(=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:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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