Basic information
- CAS
2847-70-3- Standard SMILES
NC(N)=NCCN1CCCC(c2ccc(Cl)cc2)CC1.O=S(=O)(O)O- InChIKey
CJIOGAAVSQDPGL-UHFFFAOYSA-N- Molecular formula
- C15H25ClN4O4S
- Average molar mass
- 392.9 g/mol
- Monoisotopic mass
- 392.1285042
Names & identifiers
- Preferred name
- Guanidine, (2-(4-(p-chlorophenyl)hexahydro-1H-azepin-1-yl)ethyl)-, sulfate
- IUPAC
- 2-[2-[4-(4-chlorophenyl)azepan-1-yl]ethyl]guanidine;sulfuric acid
Names & synonyms
(2-(4-(p-Chlorophenyl)hexahydro-1H-azepin-1-yl)ethyl)guanidine sulfate2847-70-3Guanidine, (2-(4-(p-chlorophenyl)hexahydro-1H-azepin-1-yl)ethyl)-, sulfateRefChem:346706G 72DTXSID50951159Sulfuric acid--N-{2-[4-(4-chlorophenyl)azepan-1-yl]ethyl}guanidine (1/1)
Database identifiers
- CAS
2847-70-3- PubChem CID
- 200848
- DTXSID
DTXSID50951159
Properties
Computed structural properties
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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