Cas no 68140-96-5 (3-(2-butoxyethoxy)propiononitrile)
68140-96-5 structure
Product Name:3-(2-butoxyethoxy)propiononitrile
CAS No:68140-96-5
MF:C9H17NO2
MW:171.23678278923
CID:969114
PubChem ID:109627
Update Time:2025-04-19
3-(2-butoxyethoxy)propiononitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-(2-butoxyethoxy)propiononitrile
- 3-(2-butoxyethoxy)propanenitrile
- Propanenitrile, 3-(2-butoxyethoxy)-
- NS00059889
- DTXSID0071176
- SCHEMBL8880676
- EINECS 268-819-8
- 68140-96-5
- OSUBSXBLNSDLKI-UHFFFAOYSA-N
-
- Inchi: 1S/C9H17NO2/c1-2-3-6-11-8-9-12-7-4-5-10/h2-4,6-9H2,1H3
- InChI Key: OSUBSXBLNSDLKI-UHFFFAOYSA-N
- SMILES: O(CCOCCC#N)CCCC
Computed Properties
- Exact Mass: 171.12601
- Monoisotopic Mass: 171.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 8
- Complexity: 128
- 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: 0.9
- Topological Polar Surface Area: 42.2?2
Experimental Properties
- PSA: 42.25
3-(2-butoxyethoxy)propiononitrile Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
68140-96-5 (3-(2-butoxyethoxy)propiononitrile) Related Products
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