Sulfuric acid--N-[2-(4-methyl-3,4-dihydropyridin-1(2H)-yl)ethyl]guanidine (1/1)
Basic information
- CAS
1562-71-6- Standard SMILES
CC1C=CN(CCN=C(N)N)CC1.O=S(=O)(O)O- InChIKey
USBAPRNMXVPJEX-UHFFFAOYSA-N- Molecular formula
- C9H20N4O4S
- Average molar mass
- 280.35 g/mol
- Monoisotopic mass
- 280.12052631
Names & identifiers
- Preferred name
- Sulfuric acid--N-[2-(4-methyl-3,4-dihydropyridin-1(2H)-yl)ethyl]guanidine (1/1)
- IUPAC
- 2-[2-(4-methyl-3,4-dihydro-2H-pyridin-1-yl)ethyl]guanidine;sulfuric acid
Names & synonyms
DTXSID00935388NS00121300Sulfuric acid--N-[2-(4-methyl-3,4-dihydropyridin-1(2H)-yl)ethyl]guanidine (1/1)
Database identifiers
- CAS
1562-71-6- PubChem CID
- 64723
- DTXSID
DTXSID00935388
Properties
Computed structural properties
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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