Cas no 18705-38-9 ( )
structure
Product Name:
CAS No:18705-38-9
MF:C7H12N2O
MW:140.182981491089
CID:907414
PubChem ID:29227
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyano-2-ethyl-butyramide
- DTXSID10171977
- diethylcyanoacetamide
- 4-02-00-02026 (Beilstein Handbook Reference)
- 2-Cyano-2-ethylbutanamide
- DB-004675
- Diathylcyanacetamid
- 2-Cyano-2-ethylbutanamide #
- BUTYRAMIDE, 2-CYANO-2-ETHYL-
- 2-Cyano-2-ethylbutyramide
- SCHEMBL3108109
- 18705-38-9
- AKOS009158585
- BRN 1761526
-
-
- Inchi： 1S/C7H12N2O/c1-3-7(4-2,5-8)6(9)10/h3-4H2,1-2H3,(H2,9,10)
- InChI Key： BYVLOVMMSJVLMC-UHFFFAOYSA-N
- SMILES： O=C(C(C#N)(CC)CC)N
Computed Properties
- Exact Mass: 140.094963
- Monoisotopic Mass: 140.094963
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 173
- 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
- Topological Polar Surface Area: 66.9
- XLogP3: 0.7
Experimental Properties
- Density: 1.013
- Boiling Point: 300.2°C at 760 mmHg
- Flash Point: 135.4°C
- Refractive Index: 1.46
Related Literature
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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