Benzamidine, N'-cyclohexyl-N-(p-(2-(diisopropylamino)ethoxy)phenyl)-
Basic information
- CAS
31118-34-0- Standard SMILES
CC(C)N(CCOc1ccc(NC(=NC2CCCCC2)c2ccccc2)cc1)C(C)C- InChIKey
YPJCCNFMKKHLHN-UHFFFAOYSA-N- Molecular formula
- C27H39N3O
- Average molar mass
- 421.6 g/mol
- Monoisotopic mass
- 421.30931288
Names & identifiers
- Preferred name
- Benzamidine, N'-cyclohexyl-N-(p-(2-(diisopropylamino)ethoxy)phenyl)-
- IUPAC
- N'-cyclohexyl-N-[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]benzenecarboximidamide
- English name
- N'-Cyclohexyl-N-[p-[2-(diisopropylamino)ethoxy]phenyl]benzamidine
- Molecular formula
- C27H39N3O
- Molecular weight
- 421.62
Names & synonyms
BRN 2182428N'-Cyclohexyl-N-(p-(2-(diisopropylamino)ethoxy)phenyl)benzamidine31118-34-0Benzamidine, N'-cyclohexyl-N-(p-(2-(diisopropylamino)ethoxy)phenyl)-RefChem:322644CHEMBL121292DTXSID30953217N'-Cyclohexyl-N-(4-{2-[di(propan-2-yl)amino]ethoxy}phenyl)benzenecarboximidamideN'-Cyclohexyl-N-[p-[2-(diisopropylamino)ethoxy]phenyl]benzamidineBenzenecarboximidamide, N-[4-[2-[bis(1-methylethyl)amino]ethoxy]phenyl]-N'-cyclohexyl-
Database identifiers
- CAS
31118-34-0- PubChem CID
- 207900
- DTXSID
DTXSID30953217- ChEMBL
CHEMBL121292- Nikkaji
- J149.188A
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 505
Physicochemical properties
- Melting point
- 86 · 86-87 °C(Solv: heptane (142-82-5))
- Boiling point
- 565.3 · 565.3±50.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- pka
- 9.95 · 9.95±0.28(Predicted)
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Compound notes
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