Cas no 551913-44-1 (piperidine,1-(cyanoacetyl)-3-methyl-)
551913-44-1 structure
Product Name:piperidine,1-(cyanoacetyl)-3-methyl-
CAS No:551913-44-1
MF:C9H14N2O
MW:166.220262050629
CID:943487
PubChem ID:4642452
Update Time:2025-04-19
piperidine,1-(cyanoacetyl)-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- piperidine,1-(cyanoacetyl)-3-methyl-
- Piperidine, 1-(cyanoacetyl)-3-methyl- (9CI)
- PIPERIDINE, 1-(CYANOACETYL)-3-METHYL-
- 551913-44-1
- DB-288779
- AKOS000184517
- SCHEMBL12957767
-
- Inchi： 1S/C9H14N2O/c1-8-3-2-6-11(7-8)9(12)4-5-10/h8H,2-4,6-7H2,1H3
- InChI Key： FUEGYJCOMXKCIL-UHFFFAOYSA-N
- SMILES： O=C(CC#N)N1CCCC(C)C1
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: 1.09648
piperidine,1-(cyanoacetyl)-3-methyl- Related Literature
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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