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1270982-05-2 | 1-Piperazinecarboxylic acid, 3-(methoxymethyl)-, 1,1-dimethylethyl ester
CAS No: 1270982-05-2 Catalog No: AG000WNU MDL No:MFCD19688481
Product Description
Catalog Number:
AG000WNU
Chemical Name:
1-Piperazinecarboxylic acid, 3-(methoxymethyl)-, 1,1-dimethylethyl ester
CAS Number:
1270982-05-2
Molecular Formula:
C11H22N2O3
Molecular Weight:
230.3040
MDL Number:
MFCD19688481
IUPAC Name:
tert-butyl 3-(methoxymethyl)piperazine-1-carboxylate
InChI:
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-5-12-9(7-13)8-15-4/h9,12H,5-8H2,1-4H3
InChI Key:
QBJWNCXOPXVECA-UHFFFAOYSA-N
SMILES:
COCC1NCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.163g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.308g/mol
Monoisotopic Mass:
230.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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