Cas no 62679-52-1 (1,1,1-Pentanetricarbonitrile)
1,1,1-Pentanetricarbonitrile structure
Product Name:1,1,1-Pentanetricarbonitrile
CAS No:62679-52-1
MF:C8H9N3
MW:147.177160978317
CID:435491
PubChem ID:14171850
Update Time:2025-04-19
1,1,1-Pentanetricarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1,1,1-Pentanetricarbonitrile
- pentane-1,1,1-tricarbonitrile
- LogP
- SCHEMBL11087075
- tricyano-ethylpropane
- DTXSID90556900
- 62679-52-1
-
- Inchi： 1S/C8H9N3/c1-2-3-4-8(5-9,6-10)7-11/h2-4H2,1H3
- InChI Key： FZCTYVQONSBXOR-UHFFFAOYSA-N
- SMILES： N#CC(C#N)(C#N)CCCC
Computed Properties
- Exact Mass: 147.07977
- Monoisotopic Mass: 147.079647300g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 223
- 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: 1.7
- Topological Polar Surface Area: 71.4?2
Experimental Properties
- PSA: 71.37
1,1,1-Pentanetricarbonitrile Related Literature
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
62679-52-1 (1,1,1-Pentanetricarbonitrile) Related Products
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