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1027511-67-6 | 1-Piperazinecarboxylic acid, 2-propyl-, 1,1-dimethylethyl ester
CAS No: 1027511-67-6 Catalog No: AG0008AH MDL No:MFCD08273955
Product Description
Catalog Number:
AG0008AH
Chemical Name:
1-Piperazinecarboxylic acid, 2-propyl-, 1,1-dimethylethyl ester
CAS Number:
1027511-67-6
Molecular Formula:
C12H24N2O2
Molecular Weight:
228.3312
MDL Number:
MFCD08273955
IUPAC Name:
tert-butyl 2-propylpiperazine-1-carboxylate
InChI:
InChI=1S/C12H24N2O2/c1-5-6-10-9-13-7-8-14(10)11(15)16-12(2,3)4/h10,13H,5-9H2,1-4H3
InChI Key:
PYTGOQORCFQPSZ-UHFFFAOYSA-N
SMILES:
CCCC1CNCCN1C(=O)OC(C)(C)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.184g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.336g/mol
Monoisotopic Mass:
228.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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