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956-61-6 | 1-(4-tert-Butylbenzyl)piperazine
CAS No: 956-61-6 Catalog No: AG003D14 MDL No:MFCD00082594
Product Description
Catalog Number:
AG003D14
Chemical Name:
1-(4-tert-Butylbenzyl)piperazine
CAS Number:
956-61-6
Molecular Formula:
C15H24N2
Molecular Weight:
232.3645
MDL Number:
MFCD00082594
IUPAC Name:
1-[(4-tert-butylphenyl)methyl]piperazine
InChI:
InChI=1S/C15H24N2/c1-15(2,3)14-6-4-13(5-7-14)12-17-10-8-16-9-11-17/h4-7,16H,8-12H2,1-3H3
InChI Key:
UQLCETYSARZZSR-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)CN1CCNCC1)(C)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.194g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.371g/mol
Monoisotopic Mass:
232.194g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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