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Name |
Acetamide,2-isocyano-N,N-dimethyl- |
EINECS | N/A |
CAS No. | 68157-98-2 | Density | N/A |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H8N2O | Boiling Point | N/A |
Molecular Weight | 112.13 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N,N-Dimethyl-a-isocyanoacetamide;2-Isocyano-N,N-dimethylacetamide; |
Article Data | 2 |
The Acetamide,2-isocyano-N,N-dimethyl-, with the CAS registry number 68157-98-2, is also known as N,N-Dimethyl-a-isocyanoacetamide. This chemical's molecular formula is C5H8N2O and molecular weight is 112.13. What's more, its systematic name is 2-Isocyano-N,N-dimethylacetamide.
Physical properties of Acetamide,2-isocyano-N,N-dimethyl- are: (1)XLogP3-AA: -0.4; (2)H-Bond Donor: 0; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 1; (5)Exact Mass: 112.063663; (6)MonoIsotopic Mass: 112.063663; (7)Topological Polar Surface Area: 24.7; (8)Heavy Atom Count: 8; (9)Formal Charge: 0; (10)Complexity: 131; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1; (17)Feature 3D Acceptor Count: 1; (18)Effective Rotor Count: 2; (19)Conformer Sampling RMSD: 0.4; (20)CID Conformer Count: 1.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C)C(=O)C[N+]#[C-]
(2)InChI: InChI=1S/C5H8N2O/c1-6-4-5(8)7(2)3/h4H2,2-3H3
(3)InChIKey: YTLIISRHCPJHLB-UHFFFAOYSA-N
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