Home Carboxys 1-Piperazinecarboxylic acid, 1,1-dimethylethyl ester, acetate (1:1)

1-Piperazinecarboxylic acid, 1,1-dimethylethyl ester, acetate (1:1)

CAS No.:
143238-38-4
Catalog Number:
AG0037RU
Molecular Formula:
C11H22N2O4
Molecular Weight:
246.3034
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Product Description
Catalog Number:
AG0037RU
Chemical Name:
1-Piperazinecarboxylic acid, 1,1-dimethylethyl ester, acetate (1:1)
CAS Number:
143238-38-4
Molecular Formula:
C11H22N2O4
Molecular Weight:
246.3034
MDL Number:
MFCD00075265
IUPAC Name:
acetic acid;tert-butyl piperazine-1-carboxylate
InChI:
InChI=1S/C9H18N2O2.C2H4O2/c1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-2(3)4/h10H,4-7H2,1-3H3;1H3,(H,3,4)
InChI Key:
VRYAIUMHCRSUDX-UHFFFAOYSA-N
SMILES:
O=C(N1CCNCC1)OC(C)(C)C.CC(=O)O
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.158g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
246.307g/mol
Monoisotopic Mass:
246.158g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties