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CAS Number: 74896-23-4
1-methyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile

Structure

1-methyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile
Name: 1-methyl-1,2,3,4-tetrahydroquinoline-6-carbonitrile
Synonyms:
General Information
Product Number: 74896234
CAS Registry Number: 74896-23-4
Name:
6-​Quinolinecarbonitril​e, 1,​2,​3,​4-​tetrahydro-​1-​methyl-
1-​Methyl-​1,​2,​3,​4-​tetrahydroquinoline-​6-​carbonitrile; 1-​Methyl-​6-​cyano-​1,​2,​3,​4-​tetrahydroquinoline; 6-​Cyano-​1-​methyl-​1,​2,​3,​4-​tetrahydroquinoline 
 
Chemical Formula: C11H12N2
Exact Mass: 172.10
Molecular Weight: 172.23
m/z: 172.10 (100.0%), 173.10 (12.6%)
Elemental Analysis: C, 76.71; H, 7.02; N, 16.27
 
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
InChIKey: ZUEOHWIJNVOIRG-UHFFFAOYSA-N
Canonical SMILES : CN1CCCC2=C1C=CC(=C2)C#N
 
Thermal Properties Value Condition Note
Melting Point 53.9-54.1 °C   (3)CAS

Specification

98%

References
  1. (1) Amatatsu, Yoshiaki; Journal of Physical Chemistry A 2005, V109(32), P7225-7235 CAPLUS
  2. (2) Druzhinin, Sergey I.; Journal of the American Chemical Society 2010, V132(22), P7730-7744 CAPLUS
  3. (3) Zachariasse, Klaas A.; Journal of the American Chemical Society 2004, V126(6), P1705-1715 CAPLUS
  4. (4) Haettig, Christof; Journal of the American Chemical Society 2006, V128(49), P15672-15682 CAPLUS
  5. (5) Fuss, Werner; Physical Chemistry Chemical Physics 2007, V9(10), P1151-1169 CAPLUS
  6. (6) Fisz, Jacek J.; Proceedings of SPIE-The International Society for Optical Engineering 2005, V5849(Atomic and Molecular Physics), P104-111 CAPLUS
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