200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89223-72-3
89223-72-3 | 1-Butanone, 1-[4-(1,1-dimethylethyl)phenyl]-4-(1-piperazinyl)-
CAS No: 89223-72-3 Catalog No: AG0043LE MDL No:
Product Description
Catalog Number:
AG0043LE
Chemical Name:
1-Butanone, 1-[4-(1,1-dimethylethyl)phenyl]-4-(1-piperazinyl)-
CAS Number:
89223-72-3
Molecular Formula:
C18H28N2O
Molecular Weight:
288.4277
IUPAC Name:
1-(4-tert-butylphenyl)-4-piperazin-1-ylbutan-1-one
InChI:
InChI=1S/C18H28N2O/c1-18(2,3)16-8-6-15(7-9-16)17(21)5-4-12-20-13-10-19-11-14-20/h6-9,19H,4-5,10-14H2,1-3H3
InChI Key:
CLQJIKAHJUIZOU-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(C)(C)C)CCCN1CCNCC1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.22g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.435g/mol
Monoisotopic Mass:
288.22g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.