Basic information
- CAS
879-57-2- Standard SMILES
CCOc1ccccc1C(N)=NO- InChIKey
ZOGRANBHYCXFRO-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987762
Overview
See also: 2-ethoxy-N-hydroxybenzenecarboximidamide (annotation moved to).
Names & identifiers
- Preferred name
- 2-ethoxy-N'-hydroxybenzenecarboximidamide
- IUPAC
- 2-ethoxy-N'-hydroxybenzenecarboximidamide
- English name
- 2-Ethoxy-N-hydroxy-benzamidine
- Molecular formula
- C9H12N2O2
- Molecular weight
- 180.2
Names & synonyms
879-57-22-ethoxy-N'-hydroxybenzenecarboximidamide2-ethoxy-N-hydroxybenzamidine2-Ethoxy-N-hydroxybenzimidamideVardenafil Impurity 82-ethoxy-N-hydroxybenzene-1-carboximidamide2-ethoxy-N'-hydroxybenzene-1-carboximidamideSCHEMBL2789848SCHEMBL27898512-ethoxy-N'-hydroxy-benzamidineDTXSID20398835ZOGRANBHYCXFRO-UHFFFAOYSA-N
Show more names
Imidoxim2-Ethoxy-N-hydroxy-benzamidineN′-Hydroxy-2-ethoxybenzenecarboximidamideBenzenecarboximidamide, 2-ethoxy-N-hydroxy-Vardenafil IMpurity (2-Ethoxy-N-Hydroxy BenzaMidine)
MFCD07776530
Database identifiers
- CAS
879-57-2- PubChem CID
- 4056736
- DTXSID
DTXSID20398835
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Melting point
- 154 · 154-155 °C
- Boiling point
- 311.7 · 311.7±44.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- vapor pressure
- 0.001 · 0.001-0.075Pa at 25-78℃
- form
- Solid
- pka
- 14.66 · 14.66±0.50(Predicted)
- LogP
- 0.8 at · 0.8 at 40℃ and pH3
- Surface tension
- 72.11 mN/m · 72.11mN/m at 1g/L and 20℃
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- REACH Registrations
- Inactive
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H411-H302
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses2-Ethoxy-N''-hydroxybenzenecarboximidamide is a reagent used in the synthesis of cyclic pyrimidinones as novel inhibitors for PDE5.
Suppliers21 total
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
BOC Sciences16314854226 · [email protected]
Related reactions
3 records
Compound notes
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