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146398-94-9 | 2-Piperazinecarboxylic acid, 1,1-dimethylethyl ester
CAS No: 146398-94-9 Catalog No: AG001DYR MDL No:MFCD11974962
Product Description
Catalog Number:
AG001DYR
Chemical Name:
2-Piperazinecarboxylic acid, 1,1-dimethylethyl ester
CAS Number:
146398-94-9
Molecular Formula:
C9H18N2O2
Molecular Weight:
186.2514
MDL Number:
MFCD11974962
IUPAC Name:
tert-butyl piperazine-2-carboxylate
InChI:
InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)7-6-10-4-5-11-7/h7,10-11H,4-6H2,1-3H3
InChI Key:
SYMWANNZAIYCRG-UHFFFAOYSA-N
SMILES:
O=C(C1NCCNC1)OC(C)(C)C
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.137g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.255g/mol
Monoisotopic Mass:
186.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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