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CAS Number: 3627-62-1
1-methyl-4-phenylpiperidine-4-carbonitrile

Structure

1-methyl-4-phenylpiperidine-4-carbonitrile
Name: 1-methyl-4-phenylpiperidine-4-carbonitrile
Synonyms:
General Information
Product Number: 3627621

CAS Registry Number 3627-62-1
Name:
4-​Piperidinecarbonitri​le, 1-​methyl-​4-​phenyl-
Isonipecotonitrile, 1-methyl-4-phenyl- (6CI,7CI,8CI)
1-Methyl-4-cyano-4-phenylpiperidine
1-Methyl-4-phenyl-4-piperidinecarbonitrile
1-Methyl-4-phenylisonipecotonitrile
NSC 28344

 

Chemical Formula: C13H16N2
Exact Mass: 200.13
Molecular Weight: 200.28
m/z: 200.13 (100.0%), 201.13 (14.8%)

 

InChI:InChI=1S/C13H16N2/c1-15-9-7-13(11-14,8-10-15)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3

InChI Key:ZLFQTZYFXYOGLS-UHFFFAOYSA-N

Canonical SMILES:CN1CCC(CC1)(C#N)C2=CC=CC=C2

 

Thermal Properties Value Condition Note
Boiling Point 148 °C Press: 4.5 Torr (1)CAS
Boiling Point 148 °C Press: 4.5 Torr (2)CAS
Boiling Point 138 °C Press: 2.5 Torr (3)IC
Boiling Point 126 °C Press: 0.2 Torr (4)CAS
Boiling Point 126 °C Press: 0.2 Torr (5)CAS
Melting Point 53 °C   (1)CAS
Melting Point 50 °C   (3)IC

Specification

98%

References
  1. (1) Eisleb, Otto; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1941, V74B, P1433-50 CAPLUS
  2. (2) Arai, Shigesada; JP 176030 1948 CAPLUS
  3. (3) Thompson, Doug; Journal of Heterocyclic Chemistry 1983, V20(3), P771-2 CAPLUS
  4. (4) Bergel, Franz; GB 550963 1943 CAPLUS
  5. (5) Bergel, Franz; US 2418289 1947 CAPLUS
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