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74896-23-4 | 6-Quinolinecarbonitrile, 1,2,3,4-tetrahydro-1-methyl-
CAS No: 74896-23-4 Catalog No: AG00588M MDL No:
Product Description
Catalog Number:
AG00588M
Chemical Name:
6-Quinolinecarbonitrile, 1,2,3,4-tetrahydro-1-methyl-
CAS Number:
74896-23-4
Molecular Formula:
C11H12N2
Molecular Weight:
172.2264
IUPAC Name:
1-methyl-3,4-dihydro-2H-quinoline-6-carbonitrile
InChI:
InChI=1S/C11H12N2/c1-13-6-2-3-10-7-9(8-12)4-5-11(10)13/h4-5,7H,2-3,6H2,1H3
InChI Key:
ZUEOHWIJNVOIRG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)CCCN2C
Properties
Complexity:
228
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:
0
Isotope Atom Count:
0
Molecular Weight:
172.231g/mol
Monoisotopic Mass:
172.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Intramolecular charge transfer with 1-tert-butyl-6-cyano-1,2,3,4-tetrahydroquinoline (NTC6) and other aminobenzonitriles. A comparison of experimental vapor phase spectra and crystal structures with calculations. | Journal of the American Chemical Society 20100609 |
| Ultrafast relaxation and coherent oscillations in aminobenzonitriles in the gas phase probed by intense-field ionization. | Physical chemistry chemical physics : PCCP 20070314 |
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