200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 74484-72-3
74484-72-3 | 1H-Isoindole-1,3(2H)-dione,2-[4-(2,6-dimethyl-1-piperidinyl)-2-butynyl]-, cis- (9CI)
CAS No: 74484-72-3 Catalog No: AG005XMA MDL No:
Product Description
Catalog Number:
AG005XMA
Chemical Name:
1H-Isoindole-1,3(2H)-dione,2-[4-(2,6-dimethyl-1-piperidinyl)-2-butynyl]-, cis- (9CI)
CAS Number:
74484-72-3
Molecular Formula:
C19H22N2O2
Molecular Weight:
310.3902
IUPAC Name:
2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]but-2-ynyl]isoindole-1,3-dione
InChI:
InChI=1S/C19H22N2O2/c1-14-8-7-9-15(2)20(14)12-5-6-13-21-18(22)16-10-3-4-11-17(16)19(21)23/h3-4,10-11,14-15H,7-9,12-13H2,1-2H3/t14-,15+
InChI Key:
YHVMEFGDAJAWLZ-GASCZTMLSA-N
SMILES:
C[C@@H]1CCC[C@@H](N1CC#CCN1C(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
310.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.397g/mol
Monoisotopic Mass:
310.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.