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1027511-70-1 | 1-Piperazinecarboxylic acid, 3-butyl-, 1,1-dimethylethyl ester
CAS No: 1027511-70-1 Catalog No: AG0008AF MDL No:MFCD08273960
Product Description
Catalog Number:
AG0008AF
Chemical Name:
1-Piperazinecarboxylic acid, 3-butyl-, 1,1-dimethylethyl ester
CAS Number:
1027511-70-1
Molecular Formula:
C13H26N2O2
Molecular Weight:
242.3577
MDL Number:
MFCD08273960
IUPAC Name:
tert-butyl 3-butylpiperazine-1-carboxylate
InChI:
InChI=1S/C13H26N2O2/c1-5-6-7-11-10-15(9-8-14-11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3
InChI Key:
ZNICOTLOPCODTO-UHFFFAOYSA-N
SMILES:
CCCCC1NCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.199g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.363g/mol
Monoisotopic Mass:
242.199g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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