200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 88226-29-3
88226-29-3 | 2H-Pyrrole-3-carbonitrile, 3,4-dihydro-5-methyl-2-(1-naphthalenyl)-, cis-
CAS No: 88226-29-3 Catalog No: AG004B80 MDL No:
Product Description
Catalog Number:
AG004B80
Chemical Name:
2H-Pyrrole-3-carbonitrile, 3,4-dihydro-5-methyl-2-(1-naphthalenyl)-, cis-
CAS Number:
88226-29-3
Molecular Formula:
C16H14N2
Molecular Weight:
234.2958
IUPAC Name:
(2R,3S)-5-methyl-2-naphthalen-1-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C16H14N2/c1-11-9-13(10-17)16(18-11)15-8-4-6-12-5-2-3-7-14(12)15/h2-8,13,16H,9H2,1H3/t13-,16-/m1/s1
InChI Key:
NDNJLTKIWXBPRL-CZUORRHYSA-N
SMILES:
N#C[C@H]1CC(=N[C@H]1c1cccc2c1cccc2)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
234.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.302g/mol
Monoisotopic Mass:
234.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.