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1630906-98-7 | 1-Piperazinecarboxylic acid, 4-[3-[(methylsulfonyl)oxy]propyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1630906-98-7 Catalog No: AG001TQO MDL No:MFCD28166268
Product Description
Catalog Number:
AG001TQO
Chemical Name:
1-Piperazinecarboxylic acid, 4-[3-[(methylsulfonyl)oxy]propyl]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1630906-98-7
Molecular Formula:
C13H27ClN2O5S
Molecular Weight:
358.8819
MDL Number:
MFCD28166268
IUPAC Name:
tert-butyl 4-(3-methylsulfonyloxypropyl)piperazine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C13H26N2O5S.ClH/c1-13(2,3)20-12(16)15-9-7-14(8-10-15)6-5-11-19-21(4,17)18;/h5-11H2,1-4H3;1H
InChI Key:
IAYLHXGKUONMPN-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)CCCOS(=O)(=O)C)OC(C)(C)C.Cl
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.133g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.878g/mol
Monoisotopic Mass:
358.133g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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