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1381947-73-4 | 1-Piperazinecarboxylic acid, 2-(1,1-dimethylethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1381947-73-4 Catalog No: AG001885 MDL No:
Product Description
Catalog Number:
AG001885
Chemical Name:
1-Piperazinecarboxylic acid, 2-(1,1-dimethylethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1381947-73-4
Molecular Formula:
C13H27ClN2O2
Molecular Weight:
278.8187
IUPAC Name:
tert-butyl 2-tert-butylpiperazine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C13H26N2O2.ClH/c1-12(2,3)10-9-14-7-8-15(10)11(16)17-13(4,5)6;/h10,14H,7-9H2,1-6H3;1H
InChI Key:
ADQLANUYQADSBC-UHFFFAOYSA-N
SMILES:
O=C(N1CCNCC1C(C)(C)C)OC(C)(C)C.Cl
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.176g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.821g/mol
Monoisotopic Mass:
278.176g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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