200,000+ products from a single source!
sales@angenechem.com
Home > Quinoline > 111599-07-6
111599-07-6 | (1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETONITRILE
CAS No: 111599-07-6 Catalog No: AG007SOF MDL No:
Product Description
Catalog Number:
AG007SOF
Chemical Name:
(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETONITRILE
CAS Number:
111599-07-6
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
IUPAC Name:
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetonitrile
InChI:
InChI=1S/C11H12N2/c12-7-5-11-10-4-2-1-3-9(10)6-8-13-11/h1-4,11,13H,5-6,8H2
InChI Key:
CMWHYBZDPBLPQH-UHFFFAOYSA-N
SMILES:
N#CCC1NCCc2c1cccc2
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.1g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
Related Products
© 2019 Angene International Limited. All rights Reserved.