C2T
3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid
Created: | 2013-04-02 |
Last modified: | 2014-09-05 |
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Chemical Details | |
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Formal Charge | 1 |
Atom Count | 28 |
Chiral Atom Count | 0 |
Bond Count | 27 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 3-(1-Ethyl-1,1-dimethylhydrazin-1-ium-2-yl)propanoic acid |
Systematic Name (OpenEye OEToolkits) | ethyl-(3-hydroxy-3-oxopropylamino)-dimethyl-azanium |
Formula | C7 H17 N2 O2 |
Molecular Weight | 161.222 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCN[N+](C)(C)CC |
SMILES | CACTVS | 3.385 | CC[N+](C)(C)NCCC(O)=O |
SMILES | OpenEye OEToolkits | 1.9.2 | CC[N+](C)(C)NCCC(=O)O |
Canonical SMILES | CACTVS | 3.385 | CC[N+](C)(C)NCCC(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | CC[N+](C)(C)NCCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C7H16N2O2/c1-4-9(2,3)8-6-5-7(10)11/h8H,4-6H2,1-3H3/p+1 |
InChIKey | InChI | 1.03 | VFMQJOHSAQMQEH-UHFFFAOYSA-O |
Related Resource References
Resource Name | Reference |
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PubChem | 13794690 |