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199538-99-3 | 1-Piperazinecarboxylic acid, 4-(2-propyn-1-yl)-, 1,1-dimethylethyl ester
CAS No: 199538-99-3 Catalog No: AG002C61 MDL No:MFCD04039721
Product Description
Catalog Number:
AG002C61
Chemical Name:
1-Piperazinecarboxylic acid, 4-(2-propyn-1-yl)-, 1,1-dimethylethyl ester
CAS Number:
199538-99-3
Molecular Formula:
C12H20N2O2
Molecular Weight:
224.2994
MDL Number:
MFCD04039721
IUPAC Name:
tert-butyl 4-prop-2-ynylpiperazine-1-carboxylate
InChI:
InChI=1S/C12H20N2O2/c1-5-6-13-7-9-14(10-8-13)11(15)16-12(2,3)4/h1H,6-10H2,2-4H3
InChI Key:
OAXARSVKYJPDPA-UHFFFAOYSA-N
SMILES:
C#CCN1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.304g/mol
Monoisotopic Mass:
224.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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