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475272-55-0 | (S)-1-Boc-3-benzylpiperazine
CAS No: 475272-55-0 Catalog No: AG0032GI MDL No:MFCD07772102
Product Description
Catalog Number:
AG0032GI
Chemical Name:
(S)-1-Boc-3-benzylpiperazine
CAS Number:
475272-55-0
Molecular Formula:
C16H24N2O2
Molecular Weight:
276.3740
MDL Number:
MFCD07772102
IUPAC Name:
tert-butyl (3S)-3-benzylpiperazine-1-carboxylate
InChI:
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-17-14(12-18)11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/t14-/m0/s1
InChI Key:
YFIAVMMGSRDLLG-AWEZNQCLSA-N
SMILES:
O=C(N1CCN[C@H](C1)Cc1ccccc1)OC(C)(C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
276.184g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.38g/mol
Monoisotopic Mass:
276.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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