N''-Benzyl-N-(4-methoxyphenyl)-N'-{4-[(prop-2-en-1-yl)oxy]phenyl}guanidine--hydrogen bromide (1/1)
Basic information
- CAS
69415-39-0- Standard SMILES
Br.C=CCOc1ccc(NC(=NCc2ccccc2)Nc2ccc(OC)cc2)cc1- InChIKey
HKIYLTFXBGMCGU-UHFFFAOYSA-N- Molecular formula
- C24H26BrN3O2
- Average molar mass
- 468.4 g/mol
- Monoisotopic mass
- 467.12084
Overview
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Names & identifiers
- Preferred name
- N''-Benzyl-N-(4-methoxyphenyl)-N'-{4-[(prop-2-en-1-yl)oxy]phenyl}guanidine--hydrogen bromide (1/1)
- IUPAC
- 2-benzyl-1-(4-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)guanidine;hydrobromide
Names & synonyms
DTXSID30989253N''-Benzyl-N-(4-methoxyphenyl)-N'-{4-[(prop-2-en-1-yl)oxy]phenyl}guanidine--hydrogen bromide (1/1)
Database identifiers
- CAS
69415-39-0- PubChem CID
- 12470516
- DTXSID
DTXSID30989253
Properties
Computed structural properties
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 488
Related reactions
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Compound notes
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