Cas no 90279-63-3 (Propanedinitrile, (1-ethoxytridecylidene)-)
90279-63-3 structure
Product Name:Propanedinitrile, (1-ethoxytridecylidene)-
CAS No:90279-63-3
MF:C18H30N2O
MW:290.443604946136
CID:790291
PubChem ID:13502337
Update Time:2025-04-19
Propanedinitrile, (1-ethoxytridecylidene)- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile, (1-ethoxytridecylidene)-
- 2-(1-ethoxytridecylidene)propanedinitrile
- SCHEMBL11107014
- (1-Ethoxytridecylidene)propanedinitrile
- 90279-63-3
- DTXSID40542378
-
- Inchi： 1S/C18H30N2O/c1-3-5-6-7-8-9-10-11-12-13-14-18(21-4-2)17(15-19)16-20/h3-14H2,1-2H3
- InChI Key： LGVGOYABKJAEHG-UHFFFAOYSA-N
- SMILES： O(CC)/C(=C(/C#N)\C#N)/CCCCCCCCCCCC
Computed Properties
- Exact Mass: 290.235813585g/mol
- Monoisotopic Mass: 290.235813585g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 13
- Complexity: 363
- 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: 6.5
- Topological Polar Surface Area: 56.8?2
Propanedinitrile, (1-ethoxytridecylidene)- Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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