Cas no 111511-94-5 (1-methylpiperidine-4,4-dicarbonitrile)
111511-94-5 structure
Product Name:1-methylpiperidine-4,4-dicarbonitrile
CAS No:111511-94-5
MF:C8H11N3
MW:149.193041086197
CID:2607034
PubChem ID:15057812
Update Time:2025-04-21
1-methylpiperidine-4,4-dicarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1-methylpiperidine-4,4-dicarbonitrile
- 111511-94-5
- DTXSID30567656
- SCHEMBL7960990
- WVMUQALROVXUFE-UHFFFAOYSA-N
-
- Inchi: 1S/C8H11N3/c1-11-4-2-8(6-9,7-10)3-5-11/h2-5H2,1H3
- InChI Key: WVMUQALROVXUFE-UHFFFAOYSA-N
- SMILES: N1(C)CCC(C#N)(C#N)CC1
Computed Properties
- Exact Mass: 149.095297364Da
- Monoisotopic Mass: 149.095297364Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 213
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 50.8?2
1-methylpiperidine-4,4-dicarbonitrile Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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