Cas no 64861-70-7 (Propanedinitrile, (butoxymethylene)-)
64861-70-7 structure
Product Name:Propanedinitrile, (butoxymethylene)-
CAS No:64861-70-7
MF:C8H10N2O
MW:150.177801609039
CID:414002
PubChem ID:13502334
Update Time:2025-04-19
Propanedinitrile, (butoxymethylene)- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile, (butoxymethylene)-
- 2-(butoxymethylidene)propanedinitrile
- DTXSID20542376
- SCHEMBL11108789
- 64861-70-7
- (Butoxymethylidene)propanedinitrile
-
- Inchi： 1S/C8H10N2O/c1-2-3-4-11-7-8(5-9)6-10/h7H,2-4H2,1H3
- InChI Key： FBOHRPROYWSCIW-UHFFFAOYSA-N
- SMILES： O(/C=C(\C#N)/C#N)CCCC
Computed Properties
- Exact Mass: 150.079312947g/mol
- Monoisotopic Mass: 150.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 207
- 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: 1.4
- Topological Polar Surface Area: 56.8?2
Propanedinitrile, (butoxymethylene)- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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