Cas no 551910-72-6 (Piperidine, 1-(cyanoacetyl)-3,5-dimethyl- (9CI))
551910-72-6 structure
Product Name:Piperidine, 1-(cyanoacetyl)-3,5-dimethyl- (9CI)
CAS No:551910-72-6
MF:C10H16N2O
MW:180.246842384338
CID:1592019
PubChem ID:5111525
Update Time:2025-04-21
Piperidine, 1-(cyanoacetyl)-3,5-dimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Piperidine, 1-(cyanoacetyl)-3,5-dimethyl- (9CI)
- PIPERIDINE, 1-(CYANOACETYL)-3,5-DIMETHYL-
- AKOS000174624
- 551910-72-6
- DB-327259
-
- Inchi： 1S/C10H16N2O/c1-8-5-9(2)7-12(6-8)10(13)3-4-11/h8-9H,3,5-7H2,1-2H3
- InChI Key： JWQNERCEWITCIE-UHFFFAOYSA-N
- SMILES： O=C(CC#N)N1CC(C)CC(C)C1
Computed Properties
- Exact Mass: 180.12638
- Monoisotopic Mass: 180.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 231
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 44.1
Piperidine, 1-(cyanoacetyl)-3,5-dimethyl- (9CI) Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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