N'-(2-(3,4-Dimethoxyphenyl)ethyl)-N,N-dimethylmethanimidamide phosphate (1:1)
Basic information
- CAS
61945-50-4- Standard SMILES
COc1ccc(CCN=CN(C)C)cc1OC.O=P(O)(O)O- InChIKey
WUPVRQVISHZFCF-UHFFFAOYSA-N- Molecular formula
- C13H23N2O6P
- Average molar mass
- 334.31 g/mol
- Monoisotopic mass
- 334.12937346
Names & identifiers
- Preferred name
- N'-(2-(3,4-Dimethoxyphenyl)ethyl)-N,N-dimethylmethanimidamide phosphate (1:1)
- IUPAC
- N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-dimethylmethanimidamide;phosphoric acid
Names & synonyms
N'-(2-(3,4-Dimethoxyphenyl)ethyl)-N,N-dimethylmethanimidamide phosphate (1:1)Methanimidamide, N'-(2-(3,4-dimethoxyphenyl)ethyl)-N,N-dimethyl-, phosphate (1:1)61945-50-4
Database identifiers
- CAS
61945-50-4- PubChem CID
- 3046293
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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