Cas no 42270-85-9 (1,4-Butandiyl-bis(cyanacetat))
1,4-Butandiyl-bis(cyanacetat) structure
Product Name:1,4-Butandiyl-bis(cyanacetat)
CAS No:42270-85-9
MF:C10H12N2O4
MW:224.213282585144
CID:330874
PubChem ID:96362
Update Time:2025-04-19
1,4-Butandiyl-bis(cyanacetat) Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, cyano-,1,4-butanediyl ester (9CI)
- 1,4-butanediyl bis(cyanoacetate)
- 4-(2-cyanoacetyl)oxybutyl 2-cyanoacetate
- AC1L3WAH
- AC1Q4RZ4
- AR-1I0995
- butane-1,4-diyl bis(cyanoacetate)
- CTK4I5973
- EINECS 255-744-0
- NCIOpen2_003433
- NSC70103
- SCHEMBL20368988
- NSC 70103
- NSC-70103
- NSC122397
- NSC-122397
- 1,4-BUTANEDIOL BIS(CYANOACETATE)
- NS00031146
- DTXSID00195102
- 42270-85-9
- NSC 122397
- AI3-26923
- Acetic acid, cyano-, 1,4-butanediyl ester
- AKOS024335032
- 1,4-Butandiyl-bis(cyanacetat)
-
- Inchi： 1S/C10H12N2O4/c11-5-3-9(13)15-7-1-2-8-16-10(14)4-6-12/h1-4,7-8H2
- InChI Key： PKRAUMGVQZMFDE-UHFFFAOYSA-N
- SMILES： O(C(CC#N)=O)CCCCOC(CC#N)=O
Computed Properties
- Exact Mass: 224.07976
- Monoisotopic Mass: 224.07970687g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 299
- 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: 0.5
- Topological Polar Surface Area: 100?2
Experimental Properties
- PSA: 100.18
- LogP: 0.68036
1,4-Butandiyl-bis(cyanacetat) Related Literature
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
42270-85-9 (1,4-Butandiyl-bis(cyanacetat)) Related Products
- 105-56-6(ethyl 2-cyanoacetate)
- 5459-58-5(butyl 2-cyanoacetate)
- 14447-15-5(Propyl Cyanoacetate)
- 15666-97-4(Octyl 2-Cyanoacetate)
- 10258-54-5(2-methoxyethyl 2-cyanoacetate)
- 13361-53-0(Acetic acid, 2-cyano-,hexyl ester)
- 105-34-0(methyl 2-cyanoacetate)
- 32804-77-6(2-Ethoxyethyl cyanoacetate)
- 13361-30-3(Isopropyl 2-Cyanoacetate)
- 13361-31-4(Isobutyl cyanoacetate)
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