Cas no 544453-71-6 (piperidine,1-(cyanoacetyl)-2-methyl-)
544453-71-6 structure
Product Name:piperidine,1-(cyanoacetyl)-2-methyl-
CAS No:544453-71-6
MF:C9H14N2O
MW:166.220262050629
CID:941304
PubChem ID:4391012
Update Time:2025-04-19
piperidine,1-(cyanoacetyl)-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- piperidine,1-(cyanoacetyl)-2-methyl-
- Piperidine, 1-(cyanoacetyl)-2-methyl- (9CI)
- DB-327258
- PIPERIDINE, 1-(CYANOACETYL)-2-METHYL-
- AKOS000172714
- 544453-71-6
-
- Inchi： 1S/C9H14N2O/c1-8-4-2-3-7-11(8)9(12)5-6-10/h8H,2-5,7H2,1H3
- InChI Key： GJVOHWDYNDTHGK-UHFFFAOYSA-N
- SMILES： O=C(CC#N)N1CCCCC1C
Computed Properties
- Exact Mass: 166.11100
- Monoisotopic Mass: 166.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 216
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- PSA: 44.10000
- LogP: 1.23898
piperidine,1-(cyanoacetyl)-2-methyl- Related Literature
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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