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CAS Number: 31252-42-3
4-benzylpiperidine

Structure

4-benzylpiperidine
Name: 4-benzylpiperidine
Synonyms:
General Information
Product Number: 31252423
CAS Registry Number: 31252-42-3
Name:
        Piperidine, 4-​(phenylmethyl)​-
        Piperidine, 4-​benzyl- (6CI,​7CI,​8CI); 4-​(Phenylmethyl)​piperidine; 4-​Benzylpiperidine; NSC 30346 
 
Chemical Formula: C12H17N
Exact Mass: 175.14
Molecular Weight: 175.27
m/z: 175.14 (100.0%), 176.14 (13.2%)
Elemental Analysis: C, 82.23; H, 9.78; N, 7.99
 
InChI: InChI=1S/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2
InChIKey: ABGXADJDTPFFSZ-UHFFFAOYSA-N
Canonical SMILES : C1CNCCC1CC2=CC=CC=C2
 
Thermal Properties Value Condition Note
Boiling Point 279 °C Press: 760 Torr (1)CAS
Boiling Point 270 °C   (2)SRC
Boiling Point 266 °C   (3)CAS
Boiling Point 150-152 °C Press: 17 Torr (4)CAS
Boiling Point 138 °C Press: 10 Torr (5)CAS
Boiling Point 90-92 °C Press: 0.6 Torr (6)CAS
Enthalpy See full text   (11)CAS
Formation Enthalpy See full text   (11)CAS
Melting Point 176.5-178.5 °C   (15)CAS
Melting Point 92-93 °C   (16)CAS
Melting Point 16.8 °C   (2)SRC
Melting Point 6-7 °C   (1)CAS

Specification

98%

References
  1. (1) Filippi, Sara; Polymer Engineering and Science 2006, V46(2), P139-152 CAPLUS
  2. (2) "PhysProp" data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
  3. (3) Overhoff, J.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1931, V50, P957-80 CAPLUS
  4. (4) Veer, W. L. C.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 1946, V65, P793-5 CAPLUS
  5. (5) Jullien, Alexandra F.; FR 1589754 1970 CAPLUS
  6. (6) Gray, Allan P.; Journal of the American Chemical Society 1957, V79, P3805-8 CAPLUS
  7. (7) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
  8. (8) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
  9. (9) WSS: Wolfgang Robien / University of Vienna (Spectral Data were obtained from Wiley Subscription Services, Inc. (US))
  10. (10) Kumar, Nilesh; Organic Letters 2005, V7(13), P2535-2538 CAPLUS
  11. (11) Ribeiro da Silva, M. A. V.; Journal of Thermal Analysis and Calorimetry 2007, V90(3), P865-871 CAPLUS
  12. (12) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  13. (13) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  14. (14) Gray, Allan P.; US 3632767 A 1972 CAPLUS
  15. (15) Becker, Irwin; Journal of Heterocyclic Chemistry 2005, V42(7), P1289-1295 CAPLUS
  16. (16) Bijev, A. T.; Dokladi na Bulgarskata Akademiya na Naukite 2002, V55(9), P49-54 CAPLUS
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